3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid
TL;DR: 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid (CAS 14346-01-1) is a chemical compound with molecular formula C9H5Cl2NO3S and molecular weight 276.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dichlorothiophen-3-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid, 3-(2,5-dichlorothiophen-3-yl)-5-methyl-1,2-oxazole-4-carboxylic acid, 3-(2,5-Dichlorothiophen-3-yl)-5-methylisoxazole-4-carboxylic acid, 4-isoxazolecarboxylic acid, 3-(2,5-dichloro-3-thienyl)-5-methyl-, 3-(2,5-Dichloro-3-thienyl)-5-methyl-4-isoxazolecarboxylic acid
| Molecular Formula | C9H5Cl2NO3S |
|---|---|
| Molecular Weight | 276.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.9367 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 14346-01-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(SC(=C2)Cl)Cl)C(=O)O |
| InChIKey | TXWLOFWEAIMFEW-UHFFFAOYSA-N |
Product Overview
3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid (CAS 14346-01-1), with molecular formula C9H5Cl2NO3S and molecular weight 276.94 g/mol. IUPAC: 3-(2,5-dichlorothiophen-3-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid
Property Insights of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid
The XLogP value of 3.6 indicates that 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(2,5-Dichloro-3-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-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid?
The CAS number of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid is 14346-01-1.
What is the molecular formula of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid?
The molecular formula of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid is C9H5Cl2NO3S.
What is the molecular weight of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid?
The molecular weight of 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid is 276.94 g/mol.
Where can I buy 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid?
You can request a quote for 3-(2,5-Dichloro-3-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-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.