2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one
TL;DR: 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one (CAS 218288-20-1) is a chemical compound with molecular formula C15H9ClFNO2 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one
Also Known As: Maybridge1_000818, J1.368.295J, 2-(2-chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one, 2-(2-chloro-6-fluorophenyl)-6-methyl-4H-3,1-benzoxazin-4-one, 2-(2-Fluoro-6-chlorophenyl)-6-methyl-4H-3,1-benzoxazine-4-one
| Molecular Formula | C15H9ClFNO2 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.95592 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.03058 |
| Heavy Atoms | 20 |
| Complexity | 853.11676 |
Chemical Identifiers
| CAS Number | 218288-20-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(OC2=O)C3=C(C=CC=C3Cl)F |
Product Overview
2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one (CAS 218288-20-1), with molecular formula C15H9ClFNO2 and molecular weight 289.03 g/mol. IUPAC: 2-(2-chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one
Property Insights of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one
The XLogP value of 3.95592 indicates that 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 3 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 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The CAS number of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one is 218288-20-1.
What is the molecular formula of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The molecular formula of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one is C15H9ClFNO2.
What is the molecular weight of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The molecular weight of 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one is 289.03 g/mol.
Where can I buy 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
You can request a quote for 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-6-fluorophenyl)-6-methyl-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.