Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate
TL;DR: Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate (CAS 175277-79-9) 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.
methyl 5-acetyl-3-ethyl-1,2-oxazole-4-carboxylate
Also Known As: Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate, Methyl 5-acetyl-3-ethyl-1,2-oxazole-4-carboxylate, 4-CYANO-4-NITRODIPHENYL, J1.170.111F, 4-Isoxazolecarboxylic acid, 5-acetyl-3-ethyl-, methyl ester
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.2262 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 366.88892 |
Chemical Identifiers
| CAS Number | 175277-79-9 |
|---|---|
| SMILES | CCC1=NOC(=C1C(=O)OC)C(=O)C |
Product Overview
Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate (CAS 175277-79-9), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: methyl 5-acetyl-3-ethyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate
Property Insights of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate
The XLogP value of 1.2262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate 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 Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate?
The CAS number of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate is 175277-79-9.
What is the molecular formula of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate?
The molecular formula of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate is C9H11NO4.
What is the molecular weight of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate?
The molecular weight of Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate is 197.07 g/mol.
Where can I buy Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate?
You can request a quote for Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.