4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
TL;DR: 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one (CAS 205756-65-6) is a chemical compound with molecular formula C9H4Cl2F3NO2 and molecular weight 284.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Also Known As: 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one, 4,6-Dichloro-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one, 4,6-Dichloro-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one, 3,10-dichloro-10-(trifluoromethyl)-9-oxa-7-azabicyclo[4.4.0]deca-2,4,11-trien-8-one
| Molecular Formula | C9H4Cl2F3NO2 |
|---|---|
| Molecular Weight | 284.96 g/mol |
| LogP | 3.856 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.95712 |
| Heavy Atoms | 17 |
| Complexity | 491.61957 |
Chemical Identifiers
| CAS Number | 205756-65-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(OC(=O)N2)(C(F)(F)F)Cl |
Product Overview
4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one (CAS 205756-65-6), with molecular formula C9H4Cl2F3NO2 and molecular weight 284.96 g/mol. IUPAC: 4,6-dichloro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
Property Insights of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
The XLogP value of 3.856 indicates that 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-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 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one?
The CAS number of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one is 205756-65-6.
What is the molecular formula of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one?
The molecular formula of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one is C9H4Cl2F3NO2.
What is the molecular weight of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one?
The molecular weight of 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one is 284.96 g/mol.
Where can I buy 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one?
You can request a quote for 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.