6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
TL;DR: 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one (CAS 1074-63-1) is a chemical compound with molecular formula C9H6F3NOS and molecular weight 233.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
Also Known As: 6-(Trifluoromethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one, 2,3-Dihydro-6-(trifluoromethyl)benzo[1,4]-thiazin-3-one, 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one, 3-(Cyclopentylamino)propionitrile, 8630AE
| Molecular Formula | C9H6F3NOS |
|---|---|
| Molecular Weight | 233.01 g/mol |
| LogP | 2.7496 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.01222 |
| Heavy Atoms | 15 |
| Complexity | 416.30875 |
Chemical Identifiers
| CAS Number | 1074-63-1 |
|---|---|
| SMILES | C1C(=O)NC2=C(S1)C=CC(=C2)C(F)(F)F |
Product Overview
6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one (CAS 1074-63-1), with molecular formula C9H6F3NOS and molecular weight 233.01 g/mol. IUPAC: 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
Property Insights of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
The XLogP value of 2.7496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-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 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one?
The CAS number of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one is 1074-63-1.
What is the molecular formula of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one?
The molecular formula of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one is C9H6F3NOS.
What is the molecular weight of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one?
The molecular weight of 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one is 233.01 g/mol.
Where can I buy 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one?
You can request a quote for 6-(Trifluoromethyl)-2H-1,4-benzothiazin-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 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.