6-chloro-4-trifluoromethylquinazolin-2(1H)-one
TL;DR: 6-chloro-4-trifluoromethylquinazolin-2(1H)-one (CAS 214288-01-4) is a chemical compound with molecular formula C9H4ClF3N2O and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-(trifluoromethyl)-3H-quinazolin-2-one
Also Known As: 6-chloro-4-trifluoromethylquinazolin-2(1H)-one, 6-Chloro-4-(trifluoromethyl)quinazolin-2(1H)-one, 2(1H)-Quinazolinone, 6-chloro-4-(trifluoromethyl)-, 6-chloro-4-(trifluoromethyl)-3H-quinazolin-2-one, 7-chloro-4-trifluoromethylquinazolin-2-one
| Molecular Formula | C9H4ClF3N2O |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 2.5953 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.99643 |
| Heavy Atoms | 16 |
| Complexity | 605.70605 |
Chemical Identifiers
| CAS Number | 214288-01-4 |
|---|---|
| SMILES | C1=CC2=NC(=O)NC(=C2C=C1Cl)C(F)(F)F |
Product Overview
6-chloro-4-trifluoromethylquinazolin-2(1H)-one (CAS 214288-01-4), with molecular formula C9H4ClF3N2O and molecular weight 248.00 g/mol. IUPAC: 6-chloro-4-(trifluoromethyl)-3H-quinazolin-2-one.
Chemical Property Profile of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one
Property Insights of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one
The XLogP value of 2.5953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-4-trifluoromethylquinazolin-2(1H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 6-chloro-4-trifluoromethylquinazolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-4-trifluoromethylquinazolin-2(1H)-one has 1 hydrogen bond donor(s) and 2 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-trifluoromethylquinazolin-2(1H)-one?
The CAS number of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one is 214288-01-4.
What is the molecular formula of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one?
The molecular formula of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one is C9H4ClF3N2O.
What is the molecular weight of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one?
The molecular weight of 6-chloro-4-trifluoromethylquinazolin-2(1H)-one is 248.00 g/mol.
Where can I buy 6-chloro-4-trifluoromethylquinazolin-2(1H)-one?
You can request a quote for 6-chloro-4-trifluoromethylquinazolin-2(1H)-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-trifluoromethylquinazolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-trifluoromethylquinazolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.