![6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one structure](/static/products/4778/477859-07-7.webp)
6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one
TL;DR: 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one (CAS 477859-07-7) is a chemical compound with molecular formula C15H8ClF3N2O2 and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[3-(trifluoromethyl)anilino]-3,1-benzoxazin-4-one
Also Known As: 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one, 12H-514S, 6-chloro-2-[3-(trifluoromethyl)anilino]-3,1-benzoxazin-4-one, 6-chloro-2-{[3-(trifluoromethyl)phenyl]amino}-4H-3,1-benzoxazin-4-one, 6-chloro-2-{[3-(trifluoromethyl)phenyl]amino}-3,1-benzoxazin-4-one
| Molecular Formula | C15H8ClF3N2O2 |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 4.6038 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.02264 |
| Heavy Atoms | 23 |
| Complexity | 937.8887 |
Chemical Identifiers
| CAS Number | 477859-07-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC3=C(C=C(C=C3)Cl)C(=O)O2)C(F)(F)F |
Product Overview
6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one (CAS 477859-07-7), with molecular formula C15H8ClF3N2O2 and molecular weight 340.02 g/mol. IUPAC: 6-chloro-2-[3-(trifluoromethyl)anilino]-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one
Property Insights of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one
The XLogP value of 4.6038 indicates that 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-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 55.13 Ų, 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-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-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one?
The CAS number of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one is 477859-07-7.
What is the molecular formula of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one?
The molecular formula of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one is C15H8ClF3N2O2.
What is the molecular weight of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one?
The molecular weight of 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one is 340.02 g/mol.
Where can I buy 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one?
You can request a quote for 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-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 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-2-[3-(trifluoromethyl)anilino]-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.