![8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one structure](/static/products/4591/459191-62-9.webp)
8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one
TL;DR: 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 459191-62-9) is a chemical compound with molecular formula C9H7F3N2O2S and molecular weight 264.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-6-(trifluoromethylsulfanyl)-4H-1,4-benzoxazin-3-one
Also Known As: 8-amino-6-(trifluoromethylsulfanyl)-4H-1,4-benzoxazin-3-one, 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one
| Molecular Formula | C9H7F3N2O2S |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 2.2116 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.01804 |
| Heavy Atoms | 17 |
| Complexity | 476.04416 |
Chemical Identifiers
| CAS Number | 459191-62-9 |
|---|---|
| SMILES | C1C(=O)NC2=CC(=CC(=C2O1)N)SC(F)(F)F |
Product Overview
8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 459191-62-9), with molecular formula C9H7F3N2O2S and molecular weight 264.02 g/mol. IUPAC: 8-amino-6-(trifluoromethylsulfanyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one
Property Insights of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one
The XLogP value of 2.2116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one. Following Lipinski's Rule of Five, 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one has 2 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 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one?
The CAS number of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one is 459191-62-9.
What is the molecular formula of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one?
The molecular formula of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one is C9H7F3N2O2S.
What is the molecular weight of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one?
The molecular weight of 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one is 264.02 g/mol.
Where can I buy 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one?
You can request a quote for 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-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-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Amino-6-trifluoromethylthio-2H-benzo[b][1,4]oxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.