2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
TL;DR: 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester (CAS 7064-04-2) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: ethyl 5-phenyl-4,5-dihydroisoxazole-3-carboxylate, 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester, 3-ethoxycarbonyl-5-phenyl-4,5-dihydroisoxazole, 5-Phenyl-2-isoxazoline-3-carboxylicacidethylester, ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 7064-04-2 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)C2=CC=CC=C2 |
| InChIKey | YNZGZAJXHXGDBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester (CAS 7064-04-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
Property Insights of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 47.9 Ų, 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester has 0 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 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester?
The CAS number of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester is 7064-04-2.
What is the molecular formula of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester?
The molecular formula of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester is C12H13NO3.
What is the molecular weight of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester?
The molecular weight of 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester is 219.09 g/mol.
Where can I buy 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester?
You can request a quote for 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.