4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester
TL;DR: 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester (CAS 865611-98-9) is a chemical compound with molecular formula C12H8ClF3N2O2 and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-(trifluoromethyl)quinazoline-6-carboxylate
Also Known As: IFLab1_006163, IFLab2_000249, IDI1_019275, ethyl 4-chloro-2-(trifluoromethyl)quinazoline-6-carboxylate, 4-CHLORO-2-TRIFLUOROMETHYL-QUINAZOLINE-6-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C12H8ClF3N2O2 |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 3.4787 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.02264 |
| Heavy Atoms | 20 |
| Complexity | 673.5354 |
Chemical Identifiers
| CAS Number | 865611-98-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2Cl)C(F)(F)F |
Product Overview
4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester (CAS 865611-98-9), with molecular formula C12H8ClF3N2O2 and molecular weight 304.02 g/mol. IUPAC: ethyl 4-chloro-2-(trifluoromethyl)quinazoline-6-carboxylate.
Chemical Property Profile of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester
Property Insights of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester
The XLogP value of 3.4787 indicates that 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester has 0 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 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester?
The CAS number of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester is 865611-98-9.
What is the molecular formula of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester?
The molecular formula of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester is C12H8ClF3N2O2.
What is the molecular weight of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester?
The molecular weight of 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester is 304.02 g/mol.
Where can I buy 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester?
You can request a quote for 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-trifluoromethyl-quinazoline-6-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.