3-Phenylisoxazole-5-carboxylic Acid
TL;DR: 3-Phenylisoxazole-5-carboxylic Acid (CAS 14442-12-7) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,2-oxazole-5-carboxylic acid
Also Known As: 3-phenylisoxazole-5-carboxylic acid, 3-Phenyl-5-isoxazolecarboxylic acid, 3-phenyl-1,2-oxazole-5-carboxylic acid, Sulfamoyl chloride, 5-isoxazolecarboxylic acid, 3-phenyl-
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 14442-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O |
| InChIKey | YGTFDJRCCBKLDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylisoxazole-5-carboxylic Acid (CAS 14442-12-7), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: 3-phenyl-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-Phenylisoxazole-5-carboxylic Acid
Property Insights of 3-Phenylisoxazole-5-carboxylic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylisoxazole-5-carboxylic Acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenylisoxazole-5-carboxylic Acid. Following Lipinski's Rule of Five, 3-Phenylisoxazole-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
Frequently Asked Questions
What is the CAS number of 3-Phenylisoxazole-5-carboxylic Acid?
The CAS number of 3-Phenylisoxazole-5-carboxylic Acid is 14442-12-7.
What is the molecular formula of 3-Phenylisoxazole-5-carboxylic Acid?
The molecular formula of 3-Phenylisoxazole-5-carboxylic Acid is C10H7NO3.
What is the molecular weight of 3-Phenylisoxazole-5-carboxylic Acid?
The molecular weight of 3-Phenylisoxazole-5-carboxylic Acid is 189.04 g/mol.
Where can I buy 3-Phenylisoxazole-5-carboxylic Acid?
You can request a quote for 3-Phenylisoxazole-5-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-Phenylisoxazole-5-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylisoxazole-5-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.