3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
TL;DR: 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid (CAS 883-50-1) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid
Also Known As: 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid, 3-(2-Oxo-benzothiazol-3-yl)-propionic acid, 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoic acid, 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid, 3(2H)-Benzothiazolepropanoicacid, 2-oxo-
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 883-50-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)O |
| InChIKey | MNJIHLQXWFMJRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid (CAS 883-50-1), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid.
Chemical Property Profile of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
Property Insights of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic 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 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid?
The CAS number of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid is 883-50-1.
What is the molecular formula of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid?
The molecular formula of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid is C10H9NO3S.
What is the molecular weight of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid?
The molecular weight of 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid is 223.03 g/mol.
Where can I buy 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid?
You can request a quote for 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.