2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-
TL;DR: 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- (CAS 4875-01-8) is a chemical compound with molecular formula C9H6F3NO2S and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-6-(trifluoromethyl)-1,4-benzothiazin-3-one
Also Known As: 4-hydroxy-6-(trifluoromethyl)-1,4-benzothiazin-3-one, 4-Hydroxy-6-trifluoromethyl-2H-1,4-benzothiazin-3 -one, 4-Hydroxy-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one, 4-Hydroxy-6-trifluoromethyl-2H-1,4-benzothiazin-3(4H)-one, 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-
| Molecular Formula | C9H6F3NO2S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.00714 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 4875-01-8 |
|---|---|
| SMILES | C1C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)O |
| InChIKey | DXBIAANBWOWHEX-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- (CAS 4875-01-8), with molecular formula C9H6F3NO2S and molecular weight 249.01 g/mol. IUPAC: 4-hydroxy-6-(trifluoromethyl)-1,4-benzothiazin-3-one.
Chemical Property Profile of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-
Property Insights of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 6 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 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-?
The CAS number of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- is 4875-01-8.
What is the molecular formula of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-?
The molecular formula of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- is C9H6F3NO2S.
What is the molecular weight of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-?
The molecular weight of 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- is 249.01 g/mol.
Where can I buy 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-?
You can request a quote for 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-6-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.