Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate
TL;DR: Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate (CAS 866157-50-8) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(4-imidazol-1-ylphenyl)prop-2-enoate
Also Known As: Ozagrel Impurity 25, Ozagrel methyl ester, Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate, Methyl (E)-3-(4-(1h-imidazol-1-yl)phenyl)acrylate, methyl (E)-3-(4-imidazol-1-ylphenyl)prop-2-enoate
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.0585 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 512.8623 |
Chemical Identifiers
| CAS Number | 866157-50-8 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC=C(C=C1)N2C=CN=C2 |
Product Overview
Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate (CAS 866157-50-8), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: methyl (E)-3-(4-imidazol-1-ylphenyl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate
Property Insights of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate
The XLogP value of 2.0585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate has 0 hydrogen bond donor(s) and 3 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-(4-(1H-imidazol-1-yl)phenyl)acrylate?
The CAS number of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate is 866157-50-8.
What is the molecular formula of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate?
The molecular formula of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate is C13H12N2O2.
What is the molecular weight of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate?
The molecular weight of Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate is 228.09 g/mol.
Where can I buy Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate?
You can request a quote for Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-(1H-imidazol-1-yl)phenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.