methyl 1H-imidazole-2-carboxylate
TL;DR: methyl 1H-imidazole-2-carboxylate (CAS 33543-78-1) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1H-imidazole-2-carboxylate
Also Known As: Methyl 1H-imidazole-2-carboxylate, 1H-Imidazole-2-carboxylic acid, methyl ester, Methyl 2-Imidazolecarboxylate, 2-Methoxycarbonylimidazole, 1H-IMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 33543-78-1 |
|---|---|
| SMILES | COC(=O)C1=NC=CN1 |
| InChIKey | JTAQRDQNFANUEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 1H-imidazole-2-carboxylate (CAS 33543-78-1), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: methyl 1H-imidazole-2-carboxylate.
Chemical Property Profile of methyl 1H-imidazole-2-carboxylate
Property Insights of methyl 1H-imidazole-2-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1H-imidazole-2-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, methyl 1H-imidazole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1H-imidazole-2-carboxylate 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 1H-imidazole-2-carboxylate?
The CAS number of methyl 1H-imidazole-2-carboxylate is 33543-78-1.
What is the molecular formula of methyl 1H-imidazole-2-carboxylate?
The molecular formula of methyl 1H-imidazole-2-carboxylate is C5H6N2O2.
What is the molecular weight of methyl 1H-imidazole-2-carboxylate?
The molecular weight of methyl 1H-imidazole-2-carboxylate is 126.04 g/mol.
Where can I buy methyl 1H-imidazole-2-carboxylate?
You can request a quote for methyl 1H-imidazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1H-imidazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1H-imidazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.