4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
TL;DR: 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide (CAS 723-57-9) 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.
3-methyl-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: 3-methyl-6-(trifluoromethyl)-4H-1, 2-amino-4,7-difluoro-9h-fluoren-9-one, 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide, 1,1-Dioxo-3-methyl-6-trifluoromethyl-4H-1,2,4-benzothiadiazine, 3-methyl-6-(trifluoromethyl)-4h-1,2,4-benzothiadiazine 1,1-dioxide
| Molecular Formula | C9H7F3N2O2S |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.01804 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 723-57-9 |
|---|---|
| SMILES | CC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)C(F)(F)F |
| InChIKey | YLOIUIYEPKSXIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide (CAS 723-57-9), with molecular formula C9H7F3N2O2S and molecular weight 264.02 g/mol. IUPAC: 3-methyl-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
Property Insights of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide 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 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide?
The CAS number of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide is 723-57-9.
What is the molecular formula of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide?
The molecular formula of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide is C9H7F3N2O2S.
What is the molecular weight of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide?
The molecular weight of 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide is 264.02 g/mol.
Where can I buy 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide?
You can request a quote for 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.