Methyl 1,2,3-benzothiadiazole-6-carboxylate
TL;DR: Methyl 1,2,3-benzothiadiazole-6-carboxylate (CAS 39588-43-7) 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-6-carboxylate
Also Known As: methyl 1,2,3-benzothiadiazole-6-carboxylate, 5-(dimethylamino)pyrazine-2-carbonitrile, BAS 02973873, Methyl benzo[d][1,2,3]thiadiazole-6-carboxylate, Benzo[1,2,3]thiadiazole-6-carboxylic acid methyl ester
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 39588-43-7 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=NS2 |
| InChIKey | RLPJBFFHKGWDAY-UHFFFAOYSA-N |
Product Overview
Methyl 1,2,3-benzothiadiazole-6-carboxylate (CAS 39588-43-7), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: methyl 1,2,3-benzothiadiazole-6-carboxylate.
Chemical Property Profile of Methyl 1,2,3-benzothiadiazole-6-carboxylate
Property Insights of Methyl 1,2,3-benzothiadiazole-6-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,2,3-benzothiadiazole-6-carboxylate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,2,3-benzothiadiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 1,2,3-benzothiadiazole-6-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-6-carboxylate?
The CAS number of Methyl 1,2,3-benzothiadiazole-6-carboxylate is 39588-43-7.
What is the molecular formula of Methyl 1,2,3-benzothiadiazole-6-carboxylate?
The molecular formula of Methyl 1,2,3-benzothiadiazole-6-carboxylate is C8H6N2O2S.
What is the molecular weight of Methyl 1,2,3-benzothiadiazole-6-carboxylate?
The molecular weight of Methyl 1,2,3-benzothiadiazole-6-carboxylate is 194.01 g/mol.
Where can I buy Methyl 1,2,3-benzothiadiazole-6-carboxylate?
You can request a quote for Methyl 1,2,3-benzothiadiazole-6-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-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,2,3-benzothiadiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.