Methyl 3-(allyloxy)isoxazole-5-carboxylate
TL;DR: Methyl 3-(allyloxy)isoxazole-5-carboxylate (CAS 205115-28-2) 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.
methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate
Also Known As: methyl 3-(allyloxy)isoxazole-5-carboxylate, methyl3-(allyloxy)isoxazole-5-carboxylate, 3-Allyloxy-isoxazole-5-carboxylic acid methyl ester, methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate, 5-isoxazolecarboxylic acid, 3-(2-propenyloxy)-, methyl ester
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 205115-28-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=NO1)OCC=C |
| InChIKey | FPWNKJATAPESMD-UHFFFAOYSA-N |
Product Overview
Methyl 3-(allyloxy)isoxazole-5-carboxylate (CAS 205115-28-2), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Methyl 3-(allyloxy)isoxazole-5-carboxylate
Property Insights of Methyl 3-(allyloxy)isoxazole-5-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(allyloxy)isoxazole-5-carboxylate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(allyloxy)isoxazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(allyloxy)isoxazole-5-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 3-(allyloxy)isoxazole-5-carboxylate?
The CAS number of Methyl 3-(allyloxy)isoxazole-5-carboxylate is 205115-28-2.
What is the molecular formula of Methyl 3-(allyloxy)isoxazole-5-carboxylate?
The molecular formula of Methyl 3-(allyloxy)isoxazole-5-carboxylate is C8H9NO4.
What is the molecular weight of Methyl 3-(allyloxy)isoxazole-5-carboxylate?
The molecular weight of Methyl 3-(allyloxy)isoxazole-5-carboxylate is 183.05 g/mol.
Where can I buy Methyl 3-(allyloxy)isoxazole-5-carboxylate?
You can request a quote for Methyl 3-(allyloxy)isoxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(allyloxy)isoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(allyloxy)isoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.