2-乙酰基噻唑-4-甲酸
TL;DR: 2-乙酰基噻唑-4-甲酸 (CAS 15262-94-9) is a chemical compound with molecular formula C6H5NO3S and molecular weight 171.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基噻唑-4-甲酸
2-acetyl-1,3-thiazole-4-carboxylic acid
Also Known As: 2-Acetylthiazole-4-carboxylic acid, 2-Atca, 4-Thiazolecarboxylic acid, 2-acetyl-, 2-acetyl-1,3-thiazole-4-carboxylic acid, 2-Acetylthiazole-4-carboxylicacid
| Molecular Formula | C6H5NO3S |
|---|---|
| Molecular Weight | 171.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.99901 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 15262-94-9 |
|---|---|
| SMILES | CC(=O)C1=NC(=CS1)C(=O)O |
| InChIKey | SQOJCKCNKKLIFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰基噻唑-4-甲酸 (CAS 15262-94-9), with molecular formula C6H5NO3S and molecular weight 171.00 g/mol. IUPAC: 2-acetyl-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 2-乙酰基噻唑-4-甲酸
Property Insights of 2-乙酰基噻唑-4-甲酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基噻唑-4-甲酸. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰基噻唑-4-甲酸. Following Lipinski's Rule of Five, 2-乙酰基噻唑-4-甲酸 has 1 hydrogen bond donor(s) and 5 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-乙酰基噻唑-4-甲酸?
The CAS number of 2-乙酰基噻唑-4-甲酸 is 15262-94-9.
What is the molecular formula of 2-乙酰基噻唑-4-甲酸?
The molecular formula of 2-乙酰基噻唑-4-甲酸 is C6H5NO3S.
What is the molecular weight of 2-乙酰基噻唑-4-甲酸?
The molecular weight of 2-乙酰基噻唑-4-甲酸 is 171.00 g/mol.
Where can I buy 2-乙酰基噻唑-4-甲酸?
You can request a quote for 2-乙酰基噻唑-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基噻唑-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基噻唑-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.