Methyl 3-(1h-imidazol-5-yl)prop-2-enoate
TL;DR: Methyl 3-(1h-imidazol-5-yl)prop-2-enoate (CAS 52363-40-3) 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 3-(1H-imidazol-5-yl)prop-2-enoate
Also Known As: Methyl urocanate, Urocanic acid, methyl ester, methyl 3-(1h-imidazol-5-yl)prop-2-enoate, Methyl 3-(1H-imidazol-4-yl)acrylate, methyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 52363-40-3 |
|---|---|
| SMILES | COC(=O)C=CC1=CN=CN1 |
| InChIKey | ZXKOENSQFURTSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(1h-imidazol-5-yl)prop-2-enoate (CAS 52363-40-3), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: methyl 3-(1H-imidazol-5-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate
Property Insights of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1h-imidazol-5-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 55.0 Ų, Methyl 3-(1h-imidazol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1h-imidazol-5-yl)prop-2-enoate 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-5-yl)prop-2-enoate?
The CAS number of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate is 52363-40-3.
What is the molecular formula of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate?
The molecular formula of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate is C7H8N2O2.
What is the molecular weight of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate?
The molecular weight of Methyl 3-(1h-imidazol-5-yl)prop-2-enoate is 152.06 g/mol.
Where can I buy Methyl 3-(1h-imidazol-5-yl)prop-2-enoate?
You can request a quote for Methyl 3-(1h-imidazol-5-yl)prop-2-enoate 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-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1h-imidazol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.