Saquinavir/Nelfinavir deriv. 26
TL;DR: Saquinavir/Nelfinavir deriv. 26 (CAS 169168-52-9) is a chemical compound with molecular formula C37H45F3N4O6S3 and molecular weight 794.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[[(2S)-3-naphthalen-2-ylsulfonyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-4-phenylsulfanylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
Also Known As: Saquinavir/Nelfinavir deriv. 26, Thieno(3,2-c)pyridine-6-carboxamide, N-(1,1-dimethylethyl)octahydro-5-(2-hydroxy-3-((3-(2-naphthalenylsulfonyl)-1-oxo-2-((trifluoroacetyl)amino)propyl)amino)-4-(phenylthio)butyl)-, (3aR-(3aalpha,5(2R*,3R*(S*)),6beta,7aalpha))-, (3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-{[3-(naphthalen-2-ylsulfonyl)-N-(trifluoroacetyl)-D-alanyl]amino}-4-(phenylsulfanyl)butyl]octahydrothieno[3,2-c]pyridine-6-carboxamide, (3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[(2S)-3-(naphthalene-2-sulfonyl)-2-(2,2,2-trifluoroacetamido)propanamido]-4-(phenylsulfanyl)butyl]-octahydrothieno[3,2-c]pyridine-6-carboxamide, (3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[[(2S)-3-(2-naphthylsulfonyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-4-phenylsulfanyl-butyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide
| Molecular Formula | C37H45F3N4O6S3 |
|---|---|
| Molecular Weight | 794.25 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 794.24536 |
| Heavy Atoms | 53 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 169168-52-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@H]2[C@H](CCS2)CN1C[C@H]([C@H](CSC3=CC=CC=C3)NC(=O)[C@@H](CS(=O)(=O)C4=CC5=CC=CC=C5C=C4)NC(=O)C(F)(F)F)O |
| InChIKey | HJFZZDLQFWVWFW-KCCNJYLQSA-N |
Product Overview
Saquinavir/Nelfinavir deriv. 26 (CAS 169168-52-9), with molecular formula C37H45F3N4O6S3 and molecular weight 794.25 g/mol. IUPAC: (3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[[(2S)-3-naphthalen-2-ylsulfonyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-4-phenylsulfanylbutyl]-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide.
Chemical Property Profile of Saquinavir/Nelfinavir deriv. 26
Property Insights of Saquinavir/Nelfinavir deriv. 26
The XLogP value of 5.5 indicates that Saquinavir/Nelfinavir deriv. 26 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. 26 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir/Nelfinavir deriv. 26 has 4 hydrogen bond donor(s) and 12 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. 26?
The CAS number of Saquinavir/Nelfinavir deriv. 26 is 169168-52-9.
What is the molecular formula of Saquinavir/Nelfinavir deriv. 26?
The molecular formula of Saquinavir/Nelfinavir deriv. 26 is C37H45F3N4O6S3.
What is the molecular weight of Saquinavir/Nelfinavir deriv. 26?
The molecular weight of Saquinavir/Nelfinavir deriv. 26 is 794.25 g/mol.
Where can I buy Saquinavir/Nelfinavir deriv. 26?
You can request a quote for Saquinavir/Nelfinavir deriv. 26 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. 26?
Yes, KEHONG BIO provides custom synthesis services for Saquinavir/Nelfinavir deriv. 26 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.