CAS 179162-55-1

Chemistry, 4 End Use API, 26 Related Intermediates

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Also known as: 179162-55-1, Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, 4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoic acid, 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic acid, 4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoic acid, Micafungin impurity 3

Molecular Formula

C₂₁H₂₁NO₄

Molecular Weight

351.4 g/mol

InChI Key

PDTXSIGPZDVVIX-UHFFFAOYSA-N

1 2D Structure

CAS 179162-55-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic acid

2.1.2 InChI

InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)

2.1.3 InChI Key

PDTXSIGPZDVVIX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 179162-55-1

2. Benzoic Acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-

3. 4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoic Acid

4. 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic Acid

5. 4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoic Acid

6. Micafungin Impurity 3

7. Schembl2353533

8. Mfcd20267356

9. Zinc79047850

10. Akos025395935

11. Ds-8489

12. Sb18167

13. Db-113097

14. Am20090710

15. Cs-0160970

16. F52834

17. A924886

18. A1-01692

19. 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoicacid

20. 4-[5-(4-n-pentyloxyphenyl)isoxazol-3-yl]benzoic Acid

21. 4-[5-(4-pentyloxyphenyl)isoxazole-3-yl]benzoic Acid

22. 4-(5-{4-[(pent-1-yl)oxy]phenyl}isoxazol-3-yl)benzoic Acid

23. 4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic Acid

24. 4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic Acid, 3-(4-carboxyphenyl)-5-[4-(pentyloxy)phenyl]-1,2-oxazole

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₁NO₄
Molecular Weight	351.4 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	351.14705815 g/mol
Monoisotopic Mass	351.14705815 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	428
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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Shanghai Minbiotech

Shanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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Micafungin

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CAS Number

179162-55-1

Intermediate Name

Micafungin Side chain

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Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.

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Valsartan

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CAS Number

179162-55-1

Intermediate Name

4-(5-(4-(Pentyloxy)phenyl)isoxazol-...

About the Company

A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...

A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.

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