8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
TL;DR: 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 459191-31-2) is a chemical compound with molecular formula C9H7F3N2O2 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
Also Known As: 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 8-amino-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one, 8-amino-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one, F3110-0129, 8-AMINO-6-(TRIFLUOROMETHYL)-2,4-DIHYDRO-1,4-BENZOXAZIN-3-ONE
| Molecular Formula | C9H7F3N2O2 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 1.6185 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.04596 |
| Heavy Atoms | 16 |
| Complexity | 456.8027 |
Chemical Identifiers
| CAS Number | 459191-31-2 |
|---|---|
| SMILES | C1C(=O)NC2=CC(=CC(=C2O1)N)C(F)(F)F |
Product Overview
8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 459191-31-2), with molecular formula C9H7F3N2O2 and molecular weight 232.05 g/mol. IUPAC: 8-amino-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Property Insights of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
The XLogP value of 1.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one has 2 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 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The CAS number of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is 459191-31-2.
What is the molecular formula of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular formula of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is C9H7F3N2O2.
What is the molecular weight of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular weight of 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is 232.05 g/mol.
Where can I buy 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
You can request a quote for 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.