Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate
TL;DR: Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate (CAS 27538-35-8) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-imidazol-5-yl)prop-2-enoate
Also Known As: ethyl 3-(1H-imidazol-5-yl)prop-2-enoate, imidazole-4-acrylic acid ethyl ester, 2-Propenoic acid,3-(1H-imidazol-5-yl)-, ethyl ester, RefChem:343103
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 27538-35-8 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CN=CN1 |
| InChIKey | HPMLGOFBKNGJAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate (CAS 27538-35-8), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: ethyl 3-(1H-imidazol-5-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate
Property Insights of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate?
The CAS number of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate is 27538-35-8.
What is the molecular formula of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate?
The molecular formula of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate is C8H10N2O2.
What is the molecular weight of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate?
The molecular weight of Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate is 166.07 g/mol.
Where can I buy Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate?
You can request a quote for Ethyl 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 Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1H-imidazol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.