6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
TL;DR: 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one (CAS 253663-53-5) is a chemical compound with molecular formula C15H11ClF3NO and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
Also Known As: Efavirenz 3-Desoxy, 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one, 6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinolin-2(1h)-one, (4R)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3,4-trihydroquinolin-2-one, rel
| Molecular Formula | C15H11ClF3NO |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.04813 |
| Heavy Atoms | 21 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 253663-53-5 |
|---|---|
| SMILES | C1CC1C#CC2(CC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F |
| InChIKey | VZMTWEKKZZHRRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one (CAS 253663-53-5), with molecular formula C15H11ClF3NO and molecular weight 313.05 g/mol. IUPAC: 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one.
Chemical Property Profile of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
Property Insights of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
The XLogP value of 3.9 indicates that 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one has 1 hydrogen bond donor(s) and 4 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 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
The CAS number of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one is 253663-53-5.
What is the molecular formula of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
The molecular formula of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one is C15H11ClF3NO.
What is the molecular weight of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
The molecular weight of 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one is 313.05 g/mol.
Where can I buy 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
You can request a quote for 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.