消旋-依非韦伦
TL;DR: 消旋-依非韦伦 (CAS 177530-93-7) 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.
消旋-依非韦伦
6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Also Known As: Rac-Efavirenz, efavirenz, rac Efavirenz, Efavirenz Racemic, (Rac)-Efavirenz
| 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 |
| Solubility | 19.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 177530-93-7 |
|---|---|
| SMILES | C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
| InChIKey | XPOQHMRABVBWPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
消旋-依非韦伦 (CAS 177530-93-7), with molecular formula C14H9ClF3NO2 and molecular weight 315.03 g/mol. IUPAC: 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 消旋-依非韦伦
Property Insights of 消旋-依非韦伦
The XLogP value of 4.0 indicates that 消旋-依非韦伦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 消旋-依非韦伦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 消旋-依非韦伦 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 消旋-依非韦伦?
The CAS number of 消旋-依非韦伦 is 177530-93-7.
What is the molecular formula of 消旋-依非韦伦?
The molecular formula of 消旋-依非韦伦 is C14H9ClF3NO2.
What is the molecular weight of 消旋-依非韦伦?
The molecular weight of 消旋-依非韦伦 is 315.03 g/mol.
Where can I buy 消旋-依非韦伦?
You can request a quote for 消旋-依非韦伦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 消旋-依非韦伦?
Yes, KEHONG BIO provides custom synthesis services for 消旋-依非韦伦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.