2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide
TL;DR: 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide (CAS 59794-89-7) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxylate
Also Known As: 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide, ethyl 2h-1,2,4-benzothiadiazine-3-carboxylate 1,1-dioxide, ethyl 1,1-dioxo-4H-1, E6,2,4-benzothiadiazine-3-carboxylate, Ethyl 1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.7624 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 592.07837 |
Chemical Identifiers
| CAS Number | 59794-89-7 |
|---|---|
| SMILES | CCOC(=O)C1=NS(=O)(=O)C2=CC=CC=C2N1 |
Product Overview
2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide (CAS 59794-89-7), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: ethyl 1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxylate.
Chemical Property Profile of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide
Property Insights of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide
The XLogP value of 0.7624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide has 1 hydrogen bond donor(s) and 5 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-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide?
The CAS number of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide is 59794-89-7.
What is the molecular formula of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide?
The molecular formula of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide is C10H10N2O4S.
What is the molecular weight of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide?
The molecular weight of 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide is 254.04 g/mol.
Where can I buy 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide?
You can request a quote for 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 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 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4-Benzothiadiazine-3-carboxylic acid, ethyl ester, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.