2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid
TL;DR: 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid (CAS 103264-09-1) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-benzothiazol-5-yl)acetic acid
Also Known As: 5-Benzothiazoleaceticacid, 2-methyl-, 2-(2-methyl-1,3-benzothiazol-5-yl)acetic acid, 5-Benzothiazoleacetic acid, 2-methyl-, 2-Methylbenzothiazole-5-acetic acid, 2-Methyl-5-carboxymethyl-benzthiazol
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 103264-09-1 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)CC(=O)O |
| InChIKey | IWYBEKPGSYQVFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid (CAS 103264-09-1), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 2-(2-methyl-1,3-benzothiazol-5-yl)acetic acid.
Chemical Property Profile of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid
Property Insights of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid. Following Lipinski's Rule of Five, 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid has 1 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-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid?
The CAS number of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid is 103264-09-1.
What is the molecular formula of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid?
The molecular formula of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid is C10H9NO2S.
What is the molecular weight of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid?
The molecular weight of 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid is 207.04 g/mol.
Where can I buy 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid?
You can request a quote for 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-1,3-benzothiazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.