2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide
TL;DR: 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide (CAS 36110-11-9) is a chemical compound with molecular formula C12H12Cl2N2O7S and molecular weight 397.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,7-dichloro-2-hydroxy-3-(2-methoxy-2-oxoethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxylate
Also Known As: 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide, methyl 6,7-dichloro-2-hydroxy-3-(2-methoxy-2-oxoethyl)-1,1-d, methyl 6,7-dichloro-2-hydroxy-3-(2-methoxy-2-oxoethyl)-1,1-dioxo-4H-1, 6,7-dichloro-2-hydroxy-1,1-diketo-3-(2-keto-2-methoxy-ethyl)-4H-1,2,4-benzothiadiazine-3-carboxylic acid methyl ester, 6,7-dichloro-2-hydroxy-3-(2-methoxy-2-oxoethyl)-1,1-dioxo-4H-1,2,4-benzothiadiazine-3-carboxylic acid methyl ester
| Molecular Formula | C12H12Cl2N2O7S |
|---|---|
| Molecular Weight | 397.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.9742 |
| Heavy Atoms | 24 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 36110-11-9 |
|---|---|
| SMILES | COC(=O)CC1(NC2=CC(=C(C=C2S(=O)(=O)N1O)Cl)Cl)C(=O)OC |
| InChIKey | HXJIDAFJSVKUFH-UHFFFAOYSA-N |
Product Overview
2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide (CAS 36110-11-9), with molecular formula C12H12Cl2N2O7S and molecular weight 397.97 g/mol. IUPAC: methyl 6,7-dichloro-2-hydroxy-3-(2-methoxy-2-oxoethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxylate.
Chemical Property Profile of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide
Property Insights of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide has 2 hydrogen bond donor(s) and 9 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-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide?
The CAS number of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide is 36110-11-9.
What is the molecular formula of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide?
The molecular formula of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide is C12H12Cl2N2O7S.
What is the molecular weight of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide?
The molecular weight of 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide is 397.97 g/mol.
Where can I buy 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide?
You can request a quote for 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl 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-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4-Benzothiadiazine-3-acetic acid, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(methoxycarbonyl)-, methyl ester, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.