2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid
TL;DR: 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid (CAS 346712-17-2) is a chemical compound with molecular formula C10H7NO4S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-benzothiazole-5,6-dicarboxylic acid
Also Known As: 2-methyl-1,3-benzothiazole-5,6-dicarboxylic acid, 2-methylbenzothiazole-5,6-dicarboxylic Acid
| Molecular Formula | C10H7NO4S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 2.00112 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00958 |
| Heavy Atoms | 16 |
| Complexity | 551.13 |
Chemical Identifiers
| CAS Number | 346712-17-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C(=C2)C(=O)O)C(=O)O |
Product Overview
2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid (CAS 346712-17-2), with molecular formula C10H7NO4S and molecular weight 237.01 g/mol. IUPAC: 2-methyl-1,3-benzothiazole-5,6-dicarboxylic acid.
Chemical Property Profile of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid
Property Insights of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid
The XLogP value of 2.00112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid. The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid has 2 hydrogen bond donor(s) and 4 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-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid?
The CAS number of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid is 346712-17-2.
What is the molecular formula of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid?
The molecular formula of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid is C10H7NO4S.
What is the molecular weight of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid?
The molecular weight of 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid is 237.01 g/mol.
Where can I buy 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid?
You can request a quote for 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-benzothiazole-5,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.