Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate
TL;DR: Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate (CAS 52335-18-9) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-methyl-1H-benzimidazol-2-yl)acetate
Also Known As: ETHYL ACETATE, ETHYL (5-METHYL-1H-BENZIMIDAZOL-2-YL)ACETATE, ethyl 2-(6-methyl-1H-benzimidazol-2-yl)acetate, Ethyl (6-methyl-1H-benzimidazol-2-yl)acetate, Ethyl (6-methyl-1H-1,3-benzimidazol-2-yl)acetate
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 52335-18-9 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)C |
| InChIKey | KSIHSZGRNBFCOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate (CAS 52335-18-9), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: ethyl 2-(6-methyl-1H-benzimidazol-2-yl)acetate.
Chemical Property Profile of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate
Property Insights of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate 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 Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate?
The CAS number of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate is 52335-18-9.
What is the molecular formula of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate?
The molecular formula of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate is C12H14N2O2.
What is the molecular weight of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate?
The molecular weight of Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate is 218.11 g/mol.
Where can I buy Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate?
You can request a quote for Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-methyl-1H-benzimidazol-2-YL)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.