Efavirenz, (R)-
TL;DR: Efavirenz, (R)- (CAS 15535-29-2) 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.
(4R)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Also Known As: Efavirenz, (R)-, ent-Efavirenz, (R)-efavirenz, ent Efavirenz, 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 |
Chemical Identifiers
| CAS Number | 15535-29-2 |
|---|---|
| SMILES | C1CC1C#C[C@@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
| InChIKey | XPOQHMRABVBWPR-CYBMUJFWSA-N |
Product Overview
Efavirenz, (R)- (CAS 15535-29-2), with molecular formula C14H9ClF3NO2 and molecular weight 315.03 g/mol. IUPAC: (4R)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of Efavirenz, (R)-
Property Insights of Efavirenz, (R)-
The XLogP value of 4.0 indicates that Efavirenz, (R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Efavirenz, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Efavirenz, (R)- 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 Efavirenz, (R)-?
The CAS number of Efavirenz, (R)- is 15535-29-2.
What is the molecular formula of Efavirenz, (R)-?
The molecular formula of Efavirenz, (R)- is C14H9ClF3NO2.
What is the molecular weight of Efavirenz, (R)-?
The molecular weight of Efavirenz, (R)- is 315.03 g/mol.
Where can I buy Efavirenz, (R)-?
You can request a quote for Efavirenz, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Efavirenz, (R)-?
Yes, KEHONG BIO provides custom synthesis services for Efavirenz, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.