Saquinavir/Nelfinavir deriv. 28
TL;DR: Saquinavir/Nelfinavir deriv. 28 (CAS 169168-47-2) is a chemical compound with molecular formula C36H47N5O6S2 and molecular weight 709.30 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-quinolin-8-ylsulfonylpropanoyl]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. 28, Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-1-oxo-3-(8-quinolinylsulfonyl)propyl)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-(quinolin-8-ylsulfonyl)-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-(8-quinolylsulfonyl)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-quinolin-8-ylsulfonylpropanoyl]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 | C36H47N5O6S2 |
|---|---|
| Molecular Weight | 709.30 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 709.29675 |
| Heavy Atoms | 49 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 169168-47-2 |
|---|---|
| SMILES | CC(=O)N[C@H](CS(=O)(=O)C1=CC=CC2=C1N=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN4C[C@H]5CCS[C@H]5C[C@H]4C(=O)NC(C)(C)C)O |
| InChIKey | CBVONKNRKVRZIS-HLCMLFPZSA-N |
Product Overview
Saquinavir/Nelfinavir deriv. 28 (CAS 169168-47-2), with molecular formula C36H47N5O6S2 and molecular weight 709.30 g/mol. IUPAC: (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-quinolin-8-ylsulfonylpropanoyl]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. 28
Property Insights of Saquinavir/Nelfinavir deriv. 28
The XLogP value of 3.2 indicates that Saquinavir/Nelfinavir deriv. 28 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting Saquinavir/Nelfinavir deriv. 28 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 28 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. 28?
The CAS number of Saquinavir/Nelfinavir deriv. 28 is 169168-47-2.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 28?
The molecular formula of Saquinavir/Nelfinavir deriv. 28 is C36H47N5O6S2.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 28?
The molecular weight of Saquinavir/Nelfinavir deriv. 28 is 709.30 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 28?
You can request a quote for Saquinavir/Nelfinavir deriv. 28 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. 28?
Yes, KEHONG BIO provides custom synthesis services for Saquinavir/Nelfinavir deriv. 28 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.