4-Chloro-3-methylisoxazole-5-carboxylic acid
TL;DR: 4-Chloro-3-methylisoxazole-5-carboxylic acid (CAS 103912-63-6) is a chemical compound with molecular formula C5H4ClNO3 and molecular weight 160.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-methyl-1,2-oxazole-5-carboxylic acid
Also Known As: 4-Chloro-3-methylisoxazole-5-carboxylic acid, 4-chloro-3-methyl-1,2-oxazole-5-carboxylic acid, 5-Isoxazolecarboxylicacid, 4-chloro-3-methyl-, 5-Isoxazolecarboxylicacid,4-chloro-3-methyl-(9CI), 5-Isoxazolecarboxylicacid,4-chloro-3-methyl
Technical Specifications
| Molecular Formula | C5H4ClNO3 |
| Molecular Weight | 160.98798 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.98798 Da |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
| SMILES | CC1=NOC(=C1Cl)C(=O)O |
| InChIKey | OKOYWJVGSDOHLQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-3-methylisoxazole-5-carboxylic acid
Property Insights of 4-Chloro-3-methylisoxazole-5-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methylisoxazole-5-carboxylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-methylisoxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Chloro-3-methylisoxazole-5-carboxylic 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
What is the CAS number of 4-Chloro-3-methylisoxazole-5-carboxylic acid?
The CAS number of 4-Chloro-3-methylisoxazole-5-carboxylic acid is 103912-63-6.
What is the molecular formula of 4-Chloro-3-methylisoxazole-5-carboxylic acid?
The molecular formula of 4-Chloro-3-methylisoxazole-5-carboxylic acid is C5H4ClNO3.
What is the molecular weight of 4-Chloro-3-methylisoxazole-5-carboxylic acid?
The molecular weight of 4-Chloro-3-methylisoxazole-5-carboxylic acid is 160.98798 g/mol.
Where can I buy 4-Chloro-3-methylisoxazole-5-carboxylic acid?
You can request a quote for 4-Chloro-3-methylisoxazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-methylisoxazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-methylisoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.