4-Thiazolecarboxylic acid
TL;DR: 4-Thiazolecarboxylic acid (CAS 3964-04-3) is a chemical compound with molecular formula C4H3NO2S and molecular weight 128.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazole-4-carboxylic acid
Also Known As: Thiazole-4-carboxylic acid, 4-Thiazolecarboxylic acid, 1,3-THIAZOLE-4-CARBOXYLIC ACID, null, 4-Thiazolecarboxylicacid
| Molecular Formula | C4H3NO2S |
|---|---|
| Molecular Weight | 128.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.98845 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 3964-04-3 |
|---|---|
| SMILES | C1=C(N=CS1)C(=O)O |
| InChIKey | HMVYYTRDXNKRBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Thiazolecarboxylic acid (CAS 3964-04-3), with molecular formula C4H3NO2S and molecular weight 128.99 g/mol. IUPAC: 1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 4-Thiazolecarboxylic acid
Property Insights of 4-Thiazolecarboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiazolecarboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiazolecarboxylic acid. Following Lipinski's Rule of Five, 4-Thiazolecarboxylic 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 4-Thiazolecarboxylic acid?
The CAS number of 4-Thiazolecarboxylic acid is 3964-04-3.
What is the molecular formula of 4-Thiazolecarboxylic acid?
The molecular formula of 4-Thiazolecarboxylic acid is C4H3NO2S.
What is the molecular weight of 4-Thiazolecarboxylic acid?
The molecular weight of 4-Thiazolecarboxylic acid is 128.99 g/mol.
Where can I buy 4-Thiazolecarboxylic acid?
You can request a quote for 4-Thiazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.