Methyl 1,2,3-benzothiadiazole-5-carboxylate
TL;DR: Methyl 1,2,3-benzothiadiazole-5-carboxylate (CAS 23616-15-1) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2,3-benzothiadiazole-5-carboxylate
Also Known As: methyl 1,2,3-benzothiadiazole-5-carboxylate, methyl benzo[d][1,2,3]thiadiazole-5-carboxylate, Maybridge1_005151, methyl1,2,3-benzothiadiazole-5-carboxylate, 1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.4779 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 452.09567 |
Chemical Identifiers
| CAS Number | 23616-15-1 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)SN=N2 |
Product Overview
Methyl 1,2,3-benzothiadiazole-5-carboxylate (CAS 23616-15-1), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: methyl 1,2,3-benzothiadiazole-5-carboxylate.
Chemical Property Profile of Methyl 1,2,3-benzothiadiazole-5-carboxylate
Property Insights of Methyl 1,2,3-benzothiadiazole-5-carboxylate
The XLogP value of 1.4779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,2,3-benzothiadiazole-5-carboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 1,2,3-benzothiadiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1,2,3-benzothiadiazole-5-carboxylate has 0 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 Methyl 1,2,3-benzothiadiazole-5-carboxylate?
The CAS number of Methyl 1,2,3-benzothiadiazole-5-carboxylate is 23616-15-1.
What is the molecular formula of Methyl 1,2,3-benzothiadiazole-5-carboxylate?
The molecular formula of Methyl 1,2,3-benzothiadiazole-5-carboxylate is C8H6N2O2S.
What is the molecular weight of Methyl 1,2,3-benzothiadiazole-5-carboxylate?
The molecular weight of Methyl 1,2,3-benzothiadiazole-5-carboxylate is 194.01 g/mol.
Where can I buy Methyl 1,2,3-benzothiadiazole-5-carboxylate?
You can request a quote for Methyl 1,2,3-benzothiadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,2,3-benzothiadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,2,3-benzothiadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.