![methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate structure](/static/products/512/51222-25-4.png)
methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
TL;DR: methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate (CAS 51222-25-4) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
Also Known As: 5-Styryl-isoxazole-3-carboxylic acid methyl ester, BAS 06491656, methyl 5-(2-phenylethenyl)-1,2-oxazole-3-carboxylate, METHYL 5-STYRYL-3-ISOXAZOLECARBOXYLATE, methyl 5-((1E)-2-phenylvinyl)isoxazole-3-carboxylate
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.6316 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 528.6074 |
Chemical Identifiers
| CAS Number | 51222-25-4 |
|---|---|
| SMILES | COC(=O)C1=NOC(=C1)/C=C/C2=CC=CC=C2 |
Product Overview
methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate (CAS 51222-25-4), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate.
Chemical Property Profile of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
Property Insights of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
The XLogP value of 2.6316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-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 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
The CAS number of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate is 51222-25-4.
What is the molecular formula of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
The molecular formula of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate is C13H11NO3.
What is the molecular weight of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
The molecular weight of methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate is 229.07 g/mol.
Where can I buy methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
You can request a quote for methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-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-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.