Saquinavir/Nelfinavir deriv. 19
TL;DR: Saquinavir/Nelfinavir deriv. 19 (CAS 169168-45-0) is a chemical compound with molecular formula C33H45FN4O6S2 and molecular weight 676.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
Also Known As: Saquinavir/Nelfinavir deriv. 19, Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-3-((4-fluorophenyl)sulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3S*(S*)),6beta,7aalpha))-, (3aR,6S,7aS)-5-[(2R,3S)-3-({N-acetyl-3-[(4-fluorophenyl)sulfonyl]-D-alanyl}amino)-2-hydroxy-4-phenylbutyl]-N-tert-butyloctahydrothieno[3,2-c]pyridine-6-carboxamide, (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonyl-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide, (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
| Molecular Formula | C33H45FN4O6S2 |
|---|---|
| Molecular Weight | 676.28 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 676.2764 |
| Heavy Atoms | 46 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 169168-45-0 |
|---|---|
| SMILES | CC(=O)N[C@H](CS(=O)(=O)C1=CC=C(C=C1)F)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O |
| InChIKey | UJIMFKSBLFMXCG-CCZNUBNBSA-N |
Product Overview
Saquinavir/Nelfinavir deriv. 19 (CAS 169168-45-0), with molecular formula C33H45FN4O6S2 and molecular weight 676.28 g/mol. IUPAC: (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide.
Chemical Property Profile of Saquinavir/Nelfinavir deriv. 19
Property Insights of Saquinavir/Nelfinavir deriv. 19
The XLogP value of 3.0 indicates that Saquinavir/Nelfinavir deriv. 19 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting Saquinavir/Nelfinavir deriv. 19 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 19 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saquinavir/Nelfinavir deriv. 19?
The CAS number of Saquinavir/Nelfinavir deriv. 19 is 169168-45-0.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 19?
The molecular formula of Saquinavir/Nelfinavir deriv. 19 is C33H45FN4O6S2.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 19?
The molecular weight of Saquinavir/Nelfinavir deriv. 19 is 676.28 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 19?
You can request a quote for Saquinavir/Nelfinavir deriv. 19 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saquinavir/Nelfinavir deriv. 19?
Yes, KEHONG BIO provides custom synthesis services for Saquinavir/Nelfinavir deriv. 19 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.