methyl 3-(1H-imidazol-4-yl)acrylate
TL;DR: methyl 3-(1H-imidazol-4-yl)acrylate (CAS 5336-17-4) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate
Also Known As: Methyl urocanate, (E)-METHYL 3-(1H-IMIDAZOL-4-YL)ACRYLATE, trans-Methyl urocanate, Methyl 3-(1H-imidazol-4-yl)acrylate, Urocanic acid methylester
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 0.5959 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 251.41411 |
Chemical Identifiers
| CAS Number | 5336-17-4 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CN=CN1 |
Product Overview
methyl 3-(1H-imidazol-4-yl)acrylate (CAS 5336-17-4), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: methyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate.
Chemical Property Profile of methyl 3-(1H-imidazol-4-yl)acrylate
Property Insights of methyl 3-(1H-imidazol-4-yl)acrylate
The XLogP value of 0.5959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-imidazol-4-yl)acrylate. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 3-(1H-imidazol-4-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(1H-imidazol-4-yl)acrylate has 1 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-(1H-imidazol-4-yl)acrylate?
The CAS number of methyl 3-(1H-imidazol-4-yl)acrylate is 5336-17-4.
What is the molecular formula of methyl 3-(1H-imidazol-4-yl)acrylate?
The molecular formula of methyl 3-(1H-imidazol-4-yl)acrylate is C7H8N2O2.
What is the molecular weight of methyl 3-(1H-imidazol-4-yl)acrylate?
The molecular weight of methyl 3-(1H-imidazol-4-yl)acrylate is 152.06 g/mol.
Where can I buy methyl 3-(1H-imidazol-4-yl)acrylate?
You can request a quote for methyl 3-(1H-imidazol-4-yl)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-(1H-imidazol-4-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-imidazol-4-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.