5-Acetyl-isoxazole-3-carboxylic acid ethyl ester
TL;DR: 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester (CAS 104776-70-7) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-1,2-oxazole-3-carboxylate
Also Known As: Ethyl 5-Acetylisoxazole-3-Carboxylate, ethyl 5-acetyl-1,2-oxazole-3-carboxylate, Maybridge1_008815, 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester, ETHYL 5-ACETYLISOXASOLE-3-CARBOXYLATE
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 1.0539 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 328.63995 |
Chemical Identifiers
| CAS Number | 104776-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1)C(=O)C |
Product Overview
5-Acetyl-isoxazole-3-carboxylic acid ethyl ester (CAS 104776-70-7), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: ethyl 5-acetyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester
Property Insights of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester
The XLogP value of 1.0539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Acetyl-isoxazole-3-carboxylic acid 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 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester?
The CAS number of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester is 104776-70-7.
What is the molecular formula of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester?
The molecular formula of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester is C8H9NO4.
What is the molecular weight of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester?
The molecular weight of 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester is 183.05 g/mol.
Where can I buy 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester?
You can request a quote for 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-isoxazole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.