2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide
TL;DR: 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide (CAS 1789-84-0) is a chemical compound with molecular formula C10H11F3N2O3S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,1-dioxo-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazin-4-yl]ethanol
Also Known As: 2,3-Dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide, 4h-1,2,4-benzothiadiazine-4-ethanol, 2,3-dihydro-7-(trifluoromethyl)-, 1,1-dioxide, 2-[1,1-dioxo-7-(trifluoromethyl)-2,3-dihydro-1, 2-[1,1-dioxo-7-(trifluoromethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazin-4-yl]ethanol, 2-(1,1-DIOXO-7-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1.LAMBDA.6,2,4-BENZOTHIADIAZIN-4-YL)ETHANOL
| Molecular Formula | C10H11F3N2O3S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.04425 |
| Heavy Atoms | 19 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 1789-84-0 |
|---|---|
| SMILES | C1NS(=O)(=O)C2=C(N1CCO)C=CC(=C2)C(F)(F)F |
| InChIKey | OAPYSZQSGQYCSZ-UHFFFAOYSA-N |
Product Overview
2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide (CAS 1789-84-0), with molecular formula C10H11F3N2O3S and molecular weight 296.04 g/mol. IUPAC: 2-[1,1-dioxo-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazin-4-yl]ethanol.
Chemical Property Profile of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide
Property Insights of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide. Following Lipinski's Rule of Five, 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide has 2 hydrogen bond donor(s) and 8 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 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide?
The CAS number of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide is 1789-84-0.
What is the molecular formula of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide?
The molecular formula of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide is C10H11F3N2O3S.
What is the molecular weight of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide?
The molecular weight of 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide is 296.04 g/mol.
Where can I buy 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide?
You can request a quote for 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 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 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.