6-Methoxybenzothiazole-2-carboxylic acid
TL;DR: 6-Methoxybenzothiazole-2-carboxylic acid (CAS 946-13-4) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,3-benzothiazole-2-carboxylic acid
Also Known As: 6-methoxybenzothiazole-2-carboxylic acid, 6-methoxybenzo[d]thiazole-2-carboxylic acid, 6-Methoxy-1,3-benzothiazole-2-carboxylic acid, rarechem al bo 0241, timtec-bb sbb005598
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 946-13-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)C(=O)O |
| InChIKey | JDKMYJZEGZZJOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxybenzothiazole-2-carboxylic acid (CAS 946-13-4), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: 6-methoxy-1,3-benzothiazole-2-carboxylic acid.
Chemical Property Profile of 6-Methoxybenzothiazole-2-carboxylic acid
Property Insights of 6-Methoxybenzothiazole-2-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxybenzothiazole-2-carboxylic acid. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxybenzothiazole-2-carboxylic acid. Following Lipinski's Rule of Five, 6-Methoxybenzothiazole-2-carboxylic acid 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 6-Methoxybenzothiazole-2-carboxylic acid?
The CAS number of 6-Methoxybenzothiazole-2-carboxylic acid is 946-13-4.
What is the molecular formula of 6-Methoxybenzothiazole-2-carboxylic acid?
The molecular formula of 6-Methoxybenzothiazole-2-carboxylic acid is C9H7NO3S.
What is the molecular weight of 6-Methoxybenzothiazole-2-carboxylic acid?
The molecular weight of 6-Methoxybenzothiazole-2-carboxylic acid is 209.01 g/mol.
Where can I buy 6-Methoxybenzothiazole-2-carboxylic acid?
You can request a quote for 6-Methoxybenzothiazole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxybenzothiazole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxybenzothiazole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.