Saquinavir EP Impurity C
TL;DR: Saquinavir EP Impurity C (CAS 136522-17-3) is a chemical compound with molecular formula C24H39N3O2 and molecular weight 401.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: Saquinavir EP Impurity C, (3S,4aS,8aS)-, Saquinavir Mesilate EP Impurity C, EC 430-230-0, (3S,4aS,8aS)-2-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-N-(tert-butyl)decahydroisoquinoline-3-carboxamide
| Molecular Formula | C24H39N3O2 |
|---|---|
| Molecular Weight | 401.30 g/mol |
| LogP | 2.7127 |
| Topological Polar Surface Area | 78.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.30423 |
| Heavy Atoms | 29 |
| Complexity | 657.83966 |
Chemical Identifiers
| CAS Number | 136522-17-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)N)O |
Product Overview
Saquinavir EP Impurity C (CAS 136522-17-3), with molecular formula C24H39N3O2 and molecular weight 401.30 g/mol. IUPAC: (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of Saquinavir EP Impurity C
Property Insights of Saquinavir EP Impurity C
The XLogP value of 2.7127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Saquinavir EP Impurity C. The TPSA of 78.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Saquinavir EP Impurity C. Following Lipinski's Rule of Five, Saquinavir EP Impurity C has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saquinavir EP Impurity C?
The CAS number of Saquinavir EP Impurity C is 136522-17-3.
What is the molecular formula of Saquinavir EP Impurity C?
The molecular formula of Saquinavir EP Impurity C is C24H39N3O2.
What is the molecular weight of Saquinavir EP Impurity C?
The molecular weight of Saquinavir EP Impurity C is 401.30 g/mol.
Where can I buy Saquinavir EP Impurity C?
You can request a quote for Saquinavir EP Impurity C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saquinavir EP Impurity C?
Yes, KEHONG BIO provides custom synthesis services for Saquinavir EP Impurity C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.