Saquinavir Mesylate
TL;DR: Saquinavir Mesylate (CAS 149845-06-7) is a chemical compound with molecular formula C39H54N6O8S and molecular weight 766.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid
Also Known As: Saquinavir mesylate, Invirase, Fortovase, Saquinavir mesilate, Saquinavir, Mesylate
| Molecular Formula | C39H54N6O8S |
|---|---|
| Molecular Weight | 766.37 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 766.3724 |
| Heavy Atoms | 54 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 149845-06-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O |
| InChIKey | IRHXGOXEBNJUSN-YOXDLBRISA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Saquinavir Mesylate (CAS 149845-06-7), with molecular formula C39H54N6O8S and molecular weight 766.37 g/mol. IUPAC: (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid.
Chemical Property Profile of Saquinavir Mesylate
Property Insights of Saquinavir Mesylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Saquinavir Mesylate. The TPSA of 230.0 Ų indicates high polarity, suggesting Saquinavir Mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquinavir Mesylate has 6 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 Mesylate?
The CAS number of Saquinavir Mesylate is 149845-06-7.
What is the molecular formula of Saquinavir Mesylate?
The molecular formula of Saquinavir Mesylate is C39H54N6O8S.
What is the molecular weight of Saquinavir Mesylate?
The molecular weight of Saquinavir Mesylate is 766.37 g/mol.
Where can I buy Saquinavir Mesylate?
You can request a quote for Saquinavir Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saquinavir Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Saquinavir Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.