![6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one structure](/static/products/4072/40728-68-5.webp)
6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
TL;DR: 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one (CAS 40728-68-5) is a chemical compound with molecular formula C15H6Cl2F3NO2 and molecular weight 358.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one
Also Known As: 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one, 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one, AA-768/34978030, 6,8-Dichloro-2-(3-(trifluoromethyl)phenyl)-4H-3,1-benzoxazin-4-one, 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]benzo[d]1,3-oxazin-4-one
| Molecular Formula | C15H6Cl2F3NO2 |
|---|---|
| Molecular Weight | 358.97 g/mol |
| LogP | 5.1806 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.97278 |
| Heavy Atoms | 23 |
| Complexity | 967.0737 |
Chemical Identifiers
| CAS Number | 40728-68-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)O2 |
Product Overview
6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one (CAS 40728-68-5), with molecular formula C15H6Cl2F3NO2 and molecular weight 358.97 g/mol. IUPAC: 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
Property Insights of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
The XLogP value of 5.1806 indicates that 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-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 43.1 Ų, 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
The CAS number of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is 40728-68-5.
What is the molecular formula of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
The molecular formula of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is C15H6Cl2F3NO2.
What is the molecular weight of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
The molecular weight of 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is 358.97 g/mol.
Where can I buy 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
You can request a quote for 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-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 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.