Saquinavir/Nelfinavir deriv. 16
TL;DR: Saquinavir/Nelfinavir deriv. 16 (CAS 159878-24-7) is a chemical compound with molecular formula C39H52N4O6S and molecular weight 704.3608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]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/Nelfinavir deriv. 16, (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, 2-(3-((2-(acetylamino)-3-(2-naphthalenylsulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-, (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-(2-naphthylsulfonyl)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide, (3S,4aS,8aS)-2-[(2R,3S)-3-{[N-Acetyl-3-(naphthalene-2-sulfonyl)-D-alanyl]amino}-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C39H52N4O6S |
| Molecular Weight | 704.3608 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 704.3608 Da |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
| SMILES | CC(=O)N[C@H](CS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O |
| InChIKey | JCNVJZXOHPISSM-XGRSQTKDSA-N |
Chemical Property Profile of Saquinavir/Nelfinavir deriv. 16
Property Insights of Saquinavir/Nelfinavir deriv. 16
The XLogP value of 5.3 indicates that Saquinavir/Nelfinavir deriv. 16 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Saquinavir/Nelfinavir deriv. 16 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 16 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Saquinavir/Nelfinavir deriv. 16?
The CAS number of Saquinavir/Nelfinavir deriv. 16 is 159878-24-7.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 16?
The molecular formula of Saquinavir/Nelfinavir deriv. 16 is C39H52N4O6S.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 16?
The molecular weight of Saquinavir/Nelfinavir deriv. 16 is 704.3608 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 16?
You can request a quote for Saquinavir/Nelfinavir deriv. 16 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Saquinavir/Nelfinavir deriv. 16?
Yes, CoreyChem provides custom synthesis services for Saquinavir/Nelfinavir deriv. 16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.