依法韦仑
TL;DR: 依法韦仑 (CAS 154598-52-4) is a chemical compound with molecular formula C14H9ClF3NO2 and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依法韦仑
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Also Known As: efavirenz, Sustiva, Stocrin, Viraday, Efavirenz teva
| Molecular Formula | C14H9ClF3NO2 |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0274 |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
| Melting Point | 139-141 °C |
| Solubility | Practically insoluble in water (less than 10 mg/L) |
Chemical Identifiers
| CAS Number | 154598-52-4 |
|---|---|
| SMILES | C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
| InChIKey | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依法韦仑 (CAS 154598-52-4), with molecular formula C14H9ClF3NO2 and molecular weight 315.03 g/mol. IUPAC: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 依法韦仑
Property Insights of 依法韦仑
The XLogP value of 4.0 indicates that 依法韦仑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 依法韦仑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依法韦仑 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 依法韦仑?
The CAS number of 依法韦仑 is 154598-52-4.
What is the molecular formula of 依法韦仑?
The molecular formula of 依法韦仑 is C14H9ClF3NO2.
What is the molecular weight of 依法韦仑?
The molecular weight of 依法韦仑 is 315.03 g/mol.
Where can I buy 依法韦仑?
You can request a quote for 依法韦仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依法韦仑?
Yes, KEHONG BIO provides custom synthesis services for 依法韦仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.