Methyl 1H-imidazole-1-carboxylate
TL;DR: Methyl 1H-imidazole-1-carboxylate (CAS 61985-23-7) 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 imidazole-1-carboxylate
Also Known As: Methyl 1H-imidazole-1-carboxylate, methyl imidazole-1-carboxylate, 1-methoxycarbonylimidazole, Rivaroxaban Impurity 150, 1-methoxycarbonyl imidazole
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 61985-23-7 |
|---|---|
| SMILES | COC(=O)N1C=CN=C1 |
| InChIKey | JQCPMLVMNQVRCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1H-imidazole-1-carboxylate (CAS 61985-23-7), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: methyl imidazole-1-carboxylate.
Chemical Property Profile of Methyl 1H-imidazole-1-carboxylate
Property Insights of Methyl 1H-imidazole-1-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1H-imidazole-1-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, Methyl 1H-imidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1H-imidazole-1-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 1H-imidazole-1-carboxylate?
The CAS number of Methyl 1H-imidazole-1-carboxylate is 61985-23-7.
What is the molecular formula of Methyl 1H-imidazole-1-carboxylate?
The molecular formula of Methyl 1H-imidazole-1-carboxylate is C5H6N2O2.
What is the molecular weight of Methyl 1H-imidazole-1-carboxylate?
The molecular weight of Methyl 1H-imidazole-1-carboxylate is 126.04 g/mol.
Where can I buy Methyl 1H-imidazole-1-carboxylate?
You can request a quote for Methyl 1H-imidazole-1-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-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1H-imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.