CAS 231278-84-5

Chemistry, 3 End Use API, 40 Related Intermediates

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Also known as: 231278-84-5, 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde, 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde, Lapatinib metabolite m11, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde, Xa9x87f37h

Molecular Formula

C₂₆H₁₇ClFN₃O₃

Molecular Weight

473.9 g/mol

InChI Key

XQPZOUAAXRXPAM-UHFFFAOYSA-N

FDA UNII

XA9X87F37H

1 2D Structure

CAS 231278-84-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde

2.1.2 InChI

InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)

2.1.3 InChI Key

XQPZOUAAXRXPAM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C=O)Cl

2.2 Other Identifiers

2.2.1 UNII

XA9X87F37H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 231278-84-5

2. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde

3. 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde

4. Lapatinib Metabolite M11

5. 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde

6. Xa9x87f37h

7. [5-[4-[4-[(3-fluorobenzyl)oxy]-3-chloroanilino]-6-quinazolinyl]-2-furancarboxaldehyde

8. (5-(4-(4-((3-fluorobenzyl)oxy)-3-chloroanilino)-6-quinazolinyl)-2-furancarboxaldehyde

9. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-amino)quinazolin-6-yl)furan-2-carbaldehyde

10. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-carboxaldehyde

11. 5-(4-(3-chloro-4-(3-fluorobenzyloxy)-anilino)-6-quinazolinyl)furan-2-carboxaldehyde

12. 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde

13. 5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)furan-2-carbaldehyde

14. 2-furancarboxaldehyde, 5-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-

15. 2-furancarboxaldehyde, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-

16. 5-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-2-furancarboxaldehyde

17. 5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-carbaldehyde

18. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-2-furaldehyde

19. 5-(4-[3-chloro-4-(3-fluorobenzyloxy)-anilino]-6-quinazolinyl)-furan-2-carbaldehyde

20. 5-(4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-carbaldehyde

21. 5-(4-{3-chloro-4-(3-fluorobenzyloxy)-anilino}-6-quinazolinyl)-furan-2-carbaldehyde

22. 5-(4-{3-chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)furan-2-carbaldehyde

23. 5-[4-[[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]furan-2-carboxaldehyde

24. 5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-carbaldehyde

25. Lapatinib Impurity 9

26. Unii-xa9x87f37h

27. Schembl142106

28. Chembl3527095

29. Dtxsid00457833

30. Bcp22640

31. Mfcd10565688

32. Zinc22054569

33. Akos015888618

34. 16,17-epoxypregnenoloneacetate

35. Ac-8335

36. Sb18205

37. As-18220

38. Am20090639

39. Cs-0100421

40. Ft-0659647

41. F11830

42. 278c845

43. A816574

44. Q-101358

45. 5-(4-(4-(3-fluorobenzyloxy)-3-chloroanilino)-6-quinazolinyl)furan-2-formaldehyde

46. 5-(4-{3-chloro-4-(3-fluorobenzyloxy)-anilino}-6-quinazol Inyl)-furan-2-carbaldehyde

47. 5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furaldehyde

48. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-quinazolin-6-yl]-2-furaldehyde

49. 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy] Phenyl}amino)quinazolin-6-yl]-2-furaldehyde

50. 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl} Amino)quinazolin-6-yl]-2-furaldehyde

51. 5-[4-[3-chloro-4-(3-fluorobenzyloxy)anilino]-6-quinazolinyl]furan-2-carboxaldehyde

52. 5-[4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline-6-yl]furan-2-carbaldehyde

53. 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-furancarboxaldehyde

54. 5-{-4-[4-(3-fluoro-benzyloxy)-3-chloroanilino]-6-quinazolinyl}-2-furaldehyde

55. 5-{4-[4-(3-fluoro-benzyloxy)-3-chloroanilino]-6-quinazolinyl}-2-furaldehyde

56. N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-formyl-2-furyl)-4-quinazolinamine

57. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde (lapatinib Intermediate)

58. 5-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]furan-2-carbaldehyde

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₁₇ClFN₃O₃
Molecular Weight	473.9 g/mol
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	473.0942473 g/mol
Monoisotopic Mass	473.0942473 g/mol
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	675
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Shandong Boyuan Pharmaceutical

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5-[4-((3-Chloro-4-((3- fluorobenzyl)oxy)phenyl)amino)qu...

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CAS Number

231278-84-5

End Use API

Lapatinib Ditosylate

About the Company

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.

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Nanjing Lift Pharmaceutical Technol...

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5-[4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)qui...

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CAS Number

231278-84-5

End Use API

Lapatinib Ditosylate

About the Company

Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and ...

Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals. The marketing department is located in Nanjing. We have two GMP facilities in Jiangsu Province and cooperative factories in Zhejiang Province. The leading products range of the company is oncology and anti-diabetes . We also specialize in custom synthesis and contract research which demonstrates our state-of-the-art technology and capacity of synthesis.

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(R)-(-)-Glycidyl butyrate

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CAS Number

60456-26-0

End Use API

Linezolid

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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.

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