沙奎那韦
TL;DR: 沙奎那韦 (CAS 127779-20-8) is a chemical compound with molecular formula C38H50N6O5 and molecular weight 670.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
沙奎那韦
(2S)-N-[(2S,3R)-4-[(3S)-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
Also Known As: sequinavir, Fortovase, Invirase, Saquinivir, Saquinavir mesylate
| Molecular Formula | C38H50N6O5 |
|---|---|
| Molecular Weight | 670.38 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 670.3843 |
| Heavy Atoms | 49 |
| Complexity | 1140.0 |
| Melting Point | 349.84 °C |
| Solubility | 2.47e-03 g/L |
Chemical Identifiers
| CAS Number | 127779-20-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O |
| InChIKey | QWAXKHKRTORLEM-LINFGICFSA-N |
Product Overview
沙奎那韦 (CAS 127779-20-8), with molecular formula C38H50N6O5 and molecular weight 670.38 g/mol. IUPAC: (2S)-N-[(2S,3R)-4-[(3S)-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.
Chemical Property Profile of 沙奎那韦
Property Insights of 沙奎那韦
The XLogP value of 4.2 indicates that 沙奎那韦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting 沙奎那韦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 沙奎那韦 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 沙奎那韦?
The CAS number of 沙奎那韦 is 127779-20-8.
What is the molecular formula of 沙奎那韦?
The molecular formula of 沙奎那韦 is C38H50N6O5.
What is the molecular weight of 沙奎那韦?
The molecular weight of 沙奎那韦 is 670.38 g/mol.
Where can I buy 沙奎那韦?
You can request a quote for 沙奎那韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 沙奎那韦?
Yes, KEHONG BIO provides custom synthesis services for 沙奎那韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.