Ethyl 4-methyl-5-imidazolcarboxylate
TL;DR: Ethyl 4-methyl-5-imidazolcarboxylate (CAS 51605-32-4) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-1H-imidazole-4-carboxylate
Also Known As: Ethyl 5-methyl-1H-imidazole-4-carboxylate, Ethyl 4-methyl-5-imidazolecarboxylate, Emizco cpd, Ethyl 4-methyl-1H-imidazole-5-carboxylate, ethyl 5-methyl-4-imidazolecarboxylate
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 51605-32-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=N1)C |
| InChIKey | VLDUBDZWWNLZCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-methyl-5-imidazolcarboxylate (CAS 51605-32-4), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: ethyl 5-methyl-1H-imidazole-4-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-5-imidazolcarboxylate
Property Insights of Ethyl 4-methyl-5-imidazolcarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-5-imidazolcarboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 4-methyl-5-imidazolcarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methyl-5-imidazolcarboxylate 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 4-methyl-5-imidazolcarboxylate?
The CAS number of Ethyl 4-methyl-5-imidazolcarboxylate is 51605-32-4.
What is the molecular formula of Ethyl 4-methyl-5-imidazolcarboxylate?
The molecular formula of Ethyl 4-methyl-5-imidazolcarboxylate is C7H10N2O2.
What is the molecular weight of Ethyl 4-methyl-5-imidazolcarboxylate?
The molecular weight of Ethyl 4-methyl-5-imidazolcarboxylate is 154.07 g/mol.
Where can I buy Ethyl 4-methyl-5-imidazolcarboxylate?
You can request a quote for Ethyl 4-methyl-5-imidazolcarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-5-imidazolcarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-5-imidazolcarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.