Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate
TL;DR: Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate (CAS 205115-36-2) 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-oxo-2-prop-2-enyl-1,2-oxazole-5-carboxylate
Also Known As: Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate, Methyl 3-oxo-2-prop-2-enyl-1,2-oxazole-5-carboxylate, Methyl2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate, 2-Allyl-3-oxo-2,3-dihydro-isoxazole-5-carboxylic acid methyl ester, InChI=1/C8H9NO4/c1-3-4-9-7(10)5-6(13-9)8(11)12-2/h3,5H,1,4H2,2H
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.4139 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 373.7409 |
Chemical Identifiers
| CAS Number | 205115-36-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)N(O1)CC=C |
Product Overview
Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate (CAS 205115-36-2), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: methyl 3-oxo-2-prop-2-enyl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate
Property Insights of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate
The XLogP value of 0.4139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate?
The CAS number of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate is 205115-36-2.
What is the molecular formula of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate?
The molecular formula of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate is C8H9NO4.
What is the molecular weight of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate?
The molecular weight of Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate is 183.05 g/mol.
Where can I buy Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate?
You can request a quote for Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-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 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-allyl-3-oxo-2,3-dihydroisoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.