Saquinavir/Nelfinavir deriv. 20
TL;DR: Saquinavir/Nelfinavir deriv. 20 (CAS 169168-44-9) is a chemical compound with molecular formula C33H45FN4O6S3 and molecular weight 708.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6S,7aS)-5-[(2R,3R)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
Also Known As: Saquinavir/Nelfinavir deriv. 20, Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-3-((4-fluorophenyl)sulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-(phenylthio)butyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3R*(S*)),6beta,7aalpha))-, (3aR,6S,7aS)-5-[(2R,3R)-3-({N-acetyl-3-[(4-fluorophenyl)sulfonyl]-D-alanyl}amino)-2-hydroxy-4-(phenylsulfanyl)butyl]-N-tert-butyloctahydrothieno[3,2-c]pyridine-6-carboxamide, (3aR,6S,7aS)-5-[(2R,3R)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonyl-propanoyl]amino]-2-hydroxy-4-phenylsulfanyl-butyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide, (3aR,6S,7aS)-5-[(2R,3R)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
| Molecular Formula | C33H45FN4O6S3 |
|---|---|
| Molecular Weight | 708.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 708.24854 |
| Heavy Atoms | 47 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 169168-44-9 |
|---|---|
| SMILES | CC(=O)N[C@H](CS(=O)(=O)C1=CC=C(C=C1)F)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O |
| InChIKey | KEAKEWINSNWPIW-UDQVHHHJSA-N |
Product Overview
Saquinavir/Nelfinavir deriv. 20 (CAS 169168-44-9), with molecular formula C33H45FN4O6S3 and molecular weight 708.25 g/mol. IUPAC: (3aR,6S,7aS)-5-[(2R,3R)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylsulfanylbutyl]-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. 20
Property Insights of Saquinavir/Nelfinavir deriv. 20
The XLogP value of 3.2 indicates that Saquinavir/Nelfinavir deriv. 20 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.0 Ų indicates high polarity, suggesting Saquinavir/Nelfinavir deriv. 20 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 20 has 4 hydrogen bond donor(s) and 10 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. 20?
The CAS number of Saquinavir/Nelfinavir deriv. 20 is 169168-44-9.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 20?
The molecular formula of Saquinavir/Nelfinavir deriv. 20 is C33H45FN4O6S3.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 20?
The molecular weight of Saquinavir/Nelfinavir deriv. 20 is 708.25 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 20?
You can request a quote for Saquinavir/Nelfinavir deriv. 20 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. 20?
Yes, KEHONG BIO provides custom synthesis services for Saquinavir/Nelfinavir deriv. 20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.