Methyl 1H-imidazol-1-ylacetate
TL;DR: Methyl 1H-imidazol-1-ylacetate (CAS 25171-74-8) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-imidazol-1-ylacetate
Also Known As: Methyl 1H-imidazol-1-ylacetate, Methyl 2-(1H-imidazol-1-yl)acetate, Methyl 2-(1-Imidazolyl)acetate, methyl 2-imidazol-1-ylacetate, methyl 2-(imidazol-1-yl)acetate
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 25171-74-8 |
|---|---|
| SMILES | COC(=O)CN1C=CN=C1 |
| InChIKey | MENQOXBTQWXPJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1H-imidazol-1-ylacetate (CAS 25171-74-8), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: methyl 2-imidazol-1-ylacetate.
Chemical Property Profile of Methyl 1H-imidazol-1-ylacetate
Property Insights of Methyl 1H-imidazol-1-ylacetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1H-imidazol-1-ylacetate. With a topological polar surface area (TPSA) of 44.1 Ų, Methyl 1H-imidazol-1-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1H-imidazol-1-ylacetate 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-imidazol-1-ylacetate?
The CAS number of Methyl 1H-imidazol-1-ylacetate is 25171-74-8.
What is the molecular formula of Methyl 1H-imidazol-1-ylacetate?
The molecular formula of Methyl 1H-imidazol-1-ylacetate is C6H8N2O2.
What is the molecular weight of Methyl 1H-imidazol-1-ylacetate?
The molecular weight of Methyl 1H-imidazol-1-ylacetate is 140.06 g/mol.
Where can I buy Methyl 1H-imidazol-1-ylacetate?
You can request a quote for Methyl 1H-imidazol-1-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1H-imidazol-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1H-imidazol-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.