(2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
TL;DR: (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (CAS 945-03-9) 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.
2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid
Also Known As: (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid, (2-Oxo-benzothiazol-3-yl)-acetic acid, 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid, 2-Oxo-3-benzothiazolacetic acid, TOS-BB-0935
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 945-03-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)O |
| InChIKey | SXOCCTHWTPGZHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (CAS 945-03-9), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid.
Chemical Property Profile of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
Property Insights of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid. Following Lipinski's Rule of Five, (2-oxo-1,3-benzothiazol-3(2H)-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-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid?
The CAS number of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid is 945-03-9.
What is the molecular formula of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid?
The molecular formula of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid is C9H7NO3S.
What is the molecular weight of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid?
The molecular weight of (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid is 209.01 g/mol.
Where can I buy (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid?
You can request a quote for (2-oxo-1,3-benzothiazol-3(2H)-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-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.