Louis Pharmaceuticals

CAS 1441670-89-8

Chemistry, 4 End Use API, 18 Related Intermediates

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Also known as: 1441670-89-8, Tert-butyl (6s)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1h-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate, (6s)-6-[5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylic acid 1,1-dimethylethyl ester, (6s)-tert-butyl-6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate, (s)-tert-butyl 6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro(2.4)heptane-5-carboxylate, (s)-tert-butyl6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Molecular Formula

C₂₇H₂₆BrF₂N₃O₂

Molecular Weight

542.4 g/mol

InChI Key

CZEZIZZCMWUQHO-QFIPXVFZSA-N

1 2D Structure

CAS 1441670-89-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

2.1.2 InChI

InChI=1S/C27H26BrF2N3O2/c1-25(2,3)35-24(34)33-14-26(8-9-26)12-22(33)23-31-13-21(32-23)15-4-6-17-18-7-5-16(28)11-20(18)27(29,30)19(17)10-15/h4-7,10-11,13,22H,8-9,12,14H2,1-3H3,(H,31,32)/t22-/m0/s1

2.1.3 InChI Key

CZEZIZZCMWUQHO-QFIPXVFZSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)Br

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1441670-89-8

2. Tert-butyl (6s)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1h-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

3. (6s)-6-[5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylic Acid 1,1-dimethylethyl Ester

4. (6s)-tert-butyl-6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

5. (s)-tert-butyl 6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro(2.4)heptane-5-carboxylate

6. (s)-tert-butyl6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

7. 5-azaspiro[2.4]heptane-5-carboxylic Acid, 6-[5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl]-, 1,1-dimethylethyl Ester, (6s)-

8. Tert-butyl (6s)-6-[5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

9. Ec 939-899-8

10. Schembl16541579

11. Schembl19232180

12. Amy4178

13. Dtxsid001101609

14. Cs-z0007

15. Mfcd28386931

16. Akos028109756

17. Zinc141371669

18. Ac-28973

19. Ds-19340

20. Tert-butyl (6s)-6-[5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl]-5-azaspiro[2.4]heptane

21. I11541

22. A853036

23. (6s)-t-butyl-6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

24. (s)-tert-butyl 6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate;ledipasvir Intermediate

25. Tert-butyl (s)-6-(5-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

2.3 Create Date

2015-05-06

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₆BrF₂N₃O₂
Molecular Weight	542.4 g/mol
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	541.11765 g/mol
Monoisotopic Mass	541.11765 g/mol
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	847
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-Chloro-4,6-dimethoxy-1,3,5-triazine (CDMT)

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CAS Number

3140-73-6

End Use API

Ledipasvir

About the Company

Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is est...

Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is established in 2009 and has an integrated focus from various disciplines including R&D, Quality Control, Quality Assurance, Environment, Human Resource, DRA, and Manufacturing teams. Louis Pharma has ISO 9001:2015 certification, Maintaining cGMP standards and meeting the current US DMF requirements.

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