2-Acetylamino-benzothiazole-6-carboxylic acid
TL;DR: 2-Acetylamino-benzothiazole-6-carboxylic acid (CAS 100818-03-9) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-1,3-benzothiazole-6-carboxylic acid
Also Known As: 2-Acetylamino-benzothiazole-6-carboxylic acid, 2-acetamido-1,3-benzothiazole-6-carboxylic acid, 2-(acetylamino)-1,3-benzothiazole-6-carboxylic acid, 2-acetamidobenzo[d]thiazole-6-carboxylic acid, 6-Benzothiazolecarboxylic acid, 2-(acetylamino)-
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 100818-03-9 |
|---|---|
| SMILES | CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)O |
| InChIKey | JPXINLOXBYICBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylamino-benzothiazole-6-carboxylic acid (CAS 100818-03-9), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: 2-acetamido-1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of 2-Acetylamino-benzothiazole-6-carboxylic acid
Property Insights of 2-Acetylamino-benzothiazole-6-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylamino-benzothiazole-6-carboxylic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylamino-benzothiazole-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Acetylamino-benzothiazole-6-carboxylic acid has 2 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 2-Acetylamino-benzothiazole-6-carboxylic acid?
The CAS number of 2-Acetylamino-benzothiazole-6-carboxylic acid is 100818-03-9.
What is the molecular formula of 2-Acetylamino-benzothiazole-6-carboxylic acid?
The molecular formula of 2-Acetylamino-benzothiazole-6-carboxylic acid is C10H8N2O3S.
What is the molecular weight of 2-Acetylamino-benzothiazole-6-carboxylic acid?
The molecular weight of 2-Acetylamino-benzothiazole-6-carboxylic acid is 236.03 g/mol.
Where can I buy 2-Acetylamino-benzothiazole-6-carboxylic acid?
You can request a quote for 2-Acetylamino-benzothiazole-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylamino-benzothiazole-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylamino-benzothiazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.