5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one
TL;DR: 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one (CAS 214288-05-8) is a chemical compound with molecular formula C9H3F5N2O and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-difluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
Also Known As: 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one, J1.443.472K, 5,6-difluoro-4-(trifluoromethyl)quinazolin-2(1H)-one, 4-(Trifluoromethyl)-5,6-difluoroquinazoline-2(1H)-one, 5,6-difluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
| Molecular Formula | C9H3F5N2O |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 2.2201 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.01656 |
| Heavy Atoms | 17 |
| Complexity | 646.10187 |
Chemical Identifiers
| CAS Number | 214288-05-8 |
|---|---|
| SMILES | C1=CC2=NC(=O)NC(=C2C(=C1F)F)C(F)(F)F |
Product Overview
5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one (CAS 214288-05-8), with molecular formula C9H3F5N2O and molecular weight 250.02 g/mol. IUPAC: 5,6-difluoro-4-(trifluoromethyl)-3H-quinazolin-2-one.
Chemical Property Profile of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one
Property Insights of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one
The XLogP value of 2.2201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-difluoro-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 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one?
The CAS number of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one is 214288-05-8.
What is the molecular formula of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one?
The molecular formula of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one is C9H3F5N2O.
What is the molecular weight of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one?
The molecular weight of 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one is 250.02 g/mol.
Where can I buy 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one?
You can request a quote for 5,6-difluoro-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 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.