Saquinavir/Nelfinavir deriv. 10
TL;DR: Saquinavir/Nelfinavir deriv. 10 (CAS 159878-26-9) is a chemical compound with molecular formula C34H49FN4O5S2 and molecular weight 676.31287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: Saquinavir/Nelfinavir deriv. 10, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-2-(3-((3-((4-fluorophenyl)thio)-2-((methylsulfonyl)amino)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)decahydro-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-3-[(4-fluorophenyl)sulfanyl]-2-methanesulfonamidopropanamido]-2-hydroxy-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C34H49FN4O5S2 |
| Molecular Weight | 676.31287 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 676.31287 Da |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CSC4=CC=C(C=C4)F)NS(=O)(=O)C)O |
| InChIKey | SLKMGYJMZOWGPU-NUHKNMDZSA-N |
Chemical Property Profile of Saquinavir/Nelfinavir deriv. 10
Property Insights of Saquinavir/Nelfinavir deriv. 10
The XLogP value of 5.2 indicates that Saquinavir/Nelfinavir deriv. 10 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Saquinavir/Nelfinavir deriv. 10 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 10 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Saquinavir/Nelfinavir deriv. 10?
The CAS number of Saquinavir/Nelfinavir deriv. 10 is 159878-26-9.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 10?
The molecular formula of Saquinavir/Nelfinavir deriv. 10 is C34H49FN4O5S2.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 10?
The molecular weight of Saquinavir/Nelfinavir deriv. 10 is 676.31287 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 10?
You can request a quote for Saquinavir/Nelfinavir deriv. 10 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Saquinavir/Nelfinavir deriv. 10?
Yes, CoreyChem provides custom synthesis services for Saquinavir/Nelfinavir deriv. 10 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.