ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate
TL;DR: ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate (CAS 43016-45-1) is a chemical compound with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(chloromethyl)benzimidazole-1-carboxylate
Also Known As: ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate, ethyl 2-(chloromethyl)benzimidazole-1-carboxylate, 1-carboethoxy-2-chloromethylbenzimidazole, ethyl 2-(chloromethyl)benzimidazolecarboxylate, Ethyl 2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate
| Molecular Formula | C11H11ClN2O2 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 2.7797 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0509 |
| Heavy Atoms | 16 |
| Complexity | 521.67896 |
Chemical Identifiers
| CAS Number | 43016-45-1 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2N=C1CCl |
Product Overview
ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate (CAS 43016-45-1), with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol. IUPAC: ethyl 2-(chloromethyl)benzimidazole-1-carboxylate.
Chemical Property Profile of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate
Property Insights of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate
The XLogP value of 2.7797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(chloromethyl)-1H-benzimidazole-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 ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate?
The CAS number of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate is 43016-45-1.
What is the molecular formula of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate?
The molecular formula of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate is C11H11ClN2O2.
What is the molecular weight of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate?
The molecular weight of ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate is 238.05 g/mol.
Where can I buy ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate?
You can request a quote for ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.