Ethyl 1H-benzimidazole-1-acetate
TL;DR: Ethyl 1H-benzimidazole-1-acetate (CAS 55175-50-3) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzimidazol-1-yl)acetate
Also Known As: Ethyl 1H-benzimidazoleacetate, Ethyl 1H-benzimidazole-1-acetate, ethyl 1H-benzimidazol-1-ylacetate, 1H-Benzimidazole-1-acetic acid, ethyl ester, Benzimidazolyl-1 acetate d'ethyle
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 55175-50-3 |
|---|---|
| SMILES | CCOC(=O)CN1C=NC2=CC=CC=C21 |
| InChIKey | QQNQPNGPSKOQAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1H-benzimidazole-1-acetate (CAS 55175-50-3), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: ethyl 2-(benzimidazol-1-yl)acetate.
Chemical Property Profile of Ethyl 1H-benzimidazole-1-acetate
Property Insights of Ethyl 1H-benzimidazole-1-acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-benzimidazole-1-acetate. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 1H-benzimidazole-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-benzimidazole-1-acetate 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 Ethyl 1H-benzimidazole-1-acetate?
The CAS number of Ethyl 1H-benzimidazole-1-acetate is 55175-50-3.
What is the molecular formula of Ethyl 1H-benzimidazole-1-acetate?
The molecular formula of Ethyl 1H-benzimidazole-1-acetate is C11H12N2O2.
What is the molecular weight of Ethyl 1H-benzimidazole-1-acetate?
The molecular weight of Ethyl 1H-benzimidazole-1-acetate is 204.09 g/mol.
Where can I buy Ethyl 1H-benzimidazole-1-acetate?
You can request a quote for Ethyl 1H-benzimidazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1H-benzimidazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-benzimidazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.