Jiangsu Yutian Pharmaceutical Co Ltd | CAS 1007882-23-6 | Related Intermediates | Manufacturers & Suppliers

CAS 1007882-23-6

Chemistry, 1 End Use API, 9 Related Intermediates

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Also known as: 1007882-23-6, Hcv-in-30, (2s,2's)-di-tert-butyl 2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1h-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate), Cid 24898407, Tert-butyl (2s)-2-[5-[4-[4-[2-[(2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazol-2-yl]pyrrolidine-1-carboxylate, (2s,2's)-2,2'-([1,1'-biphenyl]-4,4'-diyldi-1h-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic acid 1,1'-bis(1,1-dimethylethyl) ester

Molecular Formula

C₃₆H₄₄N₆O₄

Molecular Weight

624.8 g/mol

InChI Key

WPMTYMFNINZZHE-KYJUHHDHSA-N

1 2D Structure

CAS 1007882-23-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C36H44N6O4/c1-35(2,3)45-33(43)41-19-7-9-29(41)31-37-21-27(39-31)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-22-38-32(40-28)30-10-8-20-42(30)34(44)46-36(4,5)6/h11-18,21-22,29-30H,7-10,19-20H2,1-6H3,(H,37,39)(H,38,40)/t29-,30-/m0/s1

2.1.3 InChI Key

WPMTYMFNINZZHE-KYJUHHDHSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)OC(C)(C)C

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1007882-23-6

2. Hcv-in-30

3. (2s,2's)-di-tert-butyl 2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1h-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate)

4. Cid 24898407

5. Tert-butyl (2s)-2-[5-[4-[4-[2-[(2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazol-2-yl]pyrrolidine-1-carboxylate

6. (2s,2's)-2,2'-([1,1'-biphenyl]-4,4'-diyldi-1h-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic Acid 1,1'-bis(1,1-dimethylethyl) Ester

7. 1-pyrrolidinecarboxylic Acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1h-imidazole-5,2-diyl)bis-, 1,1'-bis(1,1-dimethylethyl) Ester, (2s,2's)-

8. Schembl753302

9. Chembl3128081

10. Amy8889

11. Dtxsid401045122

12. Mfcd28404669

13. Zinc59181229

14. Akos032949640

15. Ac-28959

16. Ds-10996

17. Hy-136267

18. Cs-0121089

19. (2s,2's)-1-pyrrolidinecarboxylic Acid,2,2'-([1,1'-biphenyl]-4,4'- Diyldi-1h-imidazole-5,2-diyl)bis-,1,1'-bis(1,1-dimethylethyl) Ester

20. (2s,2's)-2,2'-[(1,1'-biphenyl)-4,4'-diyldi-1h-imidazole-5,2-diyl]bis-1-pyrrolidinecarboxylic Acid ,1,1'-bis(1,1-dimethylethyl) Ester

21. (2s,2s)-2,2-([1,1-biphenyl]-4,4-diyldi-1h-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic Acid 1,1-bis(1,1-dimethylethyl) Este

22. 1-pyrrolidinecarboxylic Acid,2,2'-([1,1'-biphenyl]-4,4'-diyldi-1h-imidazole-5,2-diyl)bis-,1,1'-bis(1,1-dimethylethyl)ester,(2s,2's)-

23. Bis(2-methyl-2-propanyl) (2s,2's)-2,2'-[4,4'-biphenyldiylbis(1h-imidazole-5,2-diyl)]di(1-pyrrolidinecarboxylate)

24. Bis(2-methyl-2-propanyl)(2s,2's)-2,2'-[4,4'-biphenyldiylbis(1h-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)

25. Di-tert-butyl (2s,2\'s)-2,2\'-(4,4\'-biphenyldiylbis(1h-imidazole-5,2-diyl))di(1-pyrrolidinecarboxylate)

26. Di-tert-butyl 2,2'-([1,1'-biphenyl]-4,4'-diylbis(1h-imidazole-5,2-diyl))(2s,2's)-bis(pyrrolidine-1-carboxylate)

27. Tert-butyl (2s)-2-[5-[4-[4-[2-[(2s)-1-tert-butoxycarbonylpyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazol-2-yl]pyrrolidine-1-carboxylate

2.3 Create Date

2008-09-22

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₄₄N₆O₄
Molecular Weight	624.8 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	624.34240391 g/mol
Monoisotopic Mass	624.34240391 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	962
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1009119-83-8

End Use API

Daclatasvir

About the Company

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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