3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester
TL;DR: 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester (CAS 19688-04-1) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-benzoyl-1,2-oxazole-3-carboxylate
Also Known As: ethyl 4-benzoyl-1,2-oxazole-3-carboxylate, 4-Benzoyl-3-isoxazolecarboxylic acid ethyl ester, 3-ISOXAZOLECARBOXYLIC ACID, 4-BENZOYL-, ETHYL ESTER, BRN 0992468
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.0688 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.0688 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | CCOC(=O)C1=NOC=C1C(=O)C2=CC=CC=C2 |
| InChIKey | NNXJZSDIPAKSDR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester
Property Insights of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester. Following Lipinski's Rule of Five, 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester?
The CAS number of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester is 19688-04-1.
What is the molecular formula of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester?
The molecular formula of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester is C13H11NO4.
What is the molecular weight of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester?
The molecular weight of 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester is 245.0688 g/mol.
Where can I buy 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester?
You can request a quote for 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.