1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
TL;DR: 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester (CAS 97420-36-5) 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-(2-methylbenzimidazol-1-yl)acetate
Also Known As: ethyl (2-methyl-1H-benzimidazol-1-yl)acetate, ethyl 2-(2-methylbenzimidazol-1-yl)acetate, 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester, ethyl 2-(2-methylbenzimidazolyl)acetate, BAS 02973869
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 97420-36-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=CC=CC=C21)C |
| InChIKey | CZOUBDOPPXEOKN-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester (CAS 97420-36-5), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: ethyl 2-(2-methylbenzimidazol-1-yl)acetate.
Chemical Property Profile of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
Property Insights of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester 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 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester?
The CAS number of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester is 97420-36-5.
What is the molecular formula of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester?
The molecular formula of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester is C12H14N2O2.
What is the molecular weight of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester?
The molecular weight of 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester is 218.11 g/mol.
Where can I buy 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester?
You can request a quote for 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.