methyl 1-phenyl-1H-imidazole-5-carboxylate
TL;DR: methyl 1-phenyl-1H-imidazole-5-carboxylate (CAS 83846-62-2) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylimidazole-4-carboxylate
Also Known As: Methyl 1-phenyl-1H-imidazole-5-carboxylate, methyl 3-phenylimidazole-4-carboxylate, methyl1-phenyl-1H-imidazole-5-carboxylate, 1H-Imidazole-5-carboxylicacid, 1-phenyl-, methyl ester, 1-Phenyl-1H-imidazole-5-carboxylic acid methyl ester
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 83846-62-2 |
|---|---|
| SMILES | COC(=O)C1=CN=CN1C2=CC=CC=C2 |
| InChIKey | CKWUTWFZMPGKGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 1-phenyl-1H-imidazole-5-carboxylate (CAS 83846-62-2), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: methyl 3-phenylimidazole-4-carboxylate.
Chemical Property Profile of methyl 1-phenyl-1H-imidazole-5-carboxylate
Property Insights of methyl 1-phenyl-1H-imidazole-5-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-phenyl-1H-imidazole-5-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, methyl 1-phenyl-1H-imidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-phenyl-1H-imidazole-5-carboxylate 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 1-phenyl-1H-imidazole-5-carboxylate?
The CAS number of methyl 1-phenyl-1H-imidazole-5-carboxylate is 83846-62-2.
What is the molecular formula of methyl 1-phenyl-1H-imidazole-5-carboxylate?
The molecular formula of methyl 1-phenyl-1H-imidazole-5-carboxylate is C11H10N2O2.
What is the molecular weight of methyl 1-phenyl-1H-imidazole-5-carboxylate?
The molecular weight of methyl 1-phenyl-1H-imidazole-5-carboxylate is 202.07 g/mol.
Where can I buy methyl 1-phenyl-1H-imidazole-5-carboxylate?
You can request a quote for methyl 1-phenyl-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-phenyl-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-phenyl-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.