3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid
TL;DR: 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid (CAS 14345-96-1) is a chemical compound with molecular formula C9H6ClNO3S and molecular weight 242.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chlorothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(5-chlorothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxylic acid, 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid, 4-isoxazolecarboxylic acid, 3-(5-chloro-2-thienyl)-5-methyl-, 3-(5-Chlorothiophen-2-yl)-5-methylisoxazole-4-carboxylic acid, 3-(5-Chloro-2-thienyl)-5-methyl-4-isoxazolecarboxylic acid
| Molecular Formula | C9H6ClNO3S |
|---|---|
| Molecular Weight | 242.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.9757 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 14345-96-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(S2)Cl)C(=O)O |
| InChIKey | WWFRJIAXONKBSK-UHFFFAOYSA-N |
Product Overview
3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid (CAS 14345-96-1), with molecular formula C9H6ClNO3S and molecular weight 242.98 g/mol. IUPAC: 3-(5-chlorothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid
Property Insights of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid 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 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid?
The CAS number of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid is 14345-96-1.
What is the molecular formula of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid?
The molecular formula of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid is C9H6ClNO3S.
What is the molecular weight of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid?
The molecular weight of 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid is 242.98 g/mol.
Where can I buy 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid?
You can request a quote for 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.