3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid
TL;DR: 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid (CAS 488722-87-8) is a chemical compound with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-5-formyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoic acid
Also Known As: 3-[(4-chloro-5-formyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoic Acid, 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid, 3-((4-chloro-5-formyl-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, 3-[(4-chloro-5-formyl-2-oxo-1,3-thiazol-3(2H)-yl)methyl]benzoic acid
| Molecular Formula | C12H8ClNO4S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 2.1222 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.98627 |
| Heavy Atoms | 19 |
| Complexity | 703.99524 |
Chemical Identifiers
| CAS Number | 488722-87-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C(=C(SC2=O)C=O)Cl |
Product Overview
3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid (CAS 488722-87-8), with molecular formula C12H8ClNO4S and molecular weight 296.99 g/mol. IUPAC: 3-[(4-chloro-5-formyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoic acid.
Chemical Property Profile of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid
Property Insights of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid
The XLogP value of 2.1222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid. Following Lipinski's Rule of Five, 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic 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-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid?
The CAS number of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid is 488722-87-8.
What is the molecular formula of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid?
The molecular formula of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid is C12H8ClNO4S.
What is the molecular weight of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid?
The molecular weight of 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid is 296.99 g/mol.
Where can I buy 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid?
You can request a quote for 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-5-formyl-2-oxo-thiazol-3-ylmethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.