Saquinavir/Nelfinavir deriv. 13
TL;DR: Saquinavir/Nelfinavir deriv. 13 (CAS 159878-29-2) is a chemical compound with molecular formula C38H52N4O5S2 and molecular weight 708.3379 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)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: Saquinavir/Nelfinavir deriv. 13, 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((2-((methylsulfonyl)amino)-3-(2-naphthalenylthio)-1-oxopropyl)amino)-4-phenylbutyl)-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-(naphthalen-2-ylsulfanyl)propanamido]-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-(2-naphthylsulfanyl)propanoyl]amino]-4-phenyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C38H52N4O5S2 |
| Molecular Weight | 708.3379 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 708.3379 Da |
| Heavy Atoms | 49 |
| Complexity | 1180.0 |
| 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=CC5=CC=CC=C5C=C4)NS(=O)(=O)C)O |
| InChIKey | NNBAMFOWJQFHIQ-HHIXDIKQSA-N |
Chemical Property Profile of Saquinavir/Nelfinavir deriv. 13
Property Insights of Saquinavir/Nelfinavir deriv. 13
The XLogP value of 6.4 indicates that Saquinavir/Nelfinavir deriv. 13 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. 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 13 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Saquinavir/Nelfinavir deriv. 13?
The CAS number of Saquinavir/Nelfinavir deriv. 13 is 159878-29-2.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 13?
The molecular formula of Saquinavir/Nelfinavir deriv. 13 is C38H52N4O5S2.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 13?
The molecular weight of Saquinavir/Nelfinavir deriv. 13 is 708.3379 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 13?
You can request a quote for Saquinavir/Nelfinavir deriv. 13 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Saquinavir/Nelfinavir deriv. 13?
Yes, CoreyChem provides custom synthesis services for Saquinavir/Nelfinavir deriv. 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.