3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
TL;DR: 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester (CAS 15911-11-2) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
Also Known As: Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate, ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate, 3-ISOXAZOLECARBOXYLIC ACID, 4-ACETYL-5-METHYL-, ETHYL ESTER, 4-Acetyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester, ethyl 4-acetyl-5-methyl-isoxazole-3-carboxylate
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 15911-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1C(=O)C)C |
| InChIKey | KABXFHWGNZLDTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester (CAS 15911-11-2), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
Property Insights of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester. Following Lipinski's Rule of Five, 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, 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
Frequently Asked Questions
What is the CAS number of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester?
The CAS number of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester is 15911-11-2.
What is the molecular formula of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester?
The molecular formula of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester is C9H11NO4.
What is the molecular weight of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester?
The molecular weight of 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester is 197.07 g/mol.
Where can I buy 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester?
You can request a quote for 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.