ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
TL;DR: ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate (CAS 339013-53-5) is a chemical compound with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-chlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate
Also Known As: ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate, ethyl 3-[(2-chlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate, ethyl 3-[(2-chlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate, 3-(2-chlorobenzyl)-2-keto-benzimidazole-1-carboxylic acid ethyl ester, 3-[(2-chlorophenyl)methyl]-2-oxo-1-benzimidazolecarboxylic acid ethyl ester
| Molecular Formula | C17H15ClN2O3 |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 3.5093 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07712 |
| Heavy Atoms | 23 |
| Complexity | 926.97833 |
Chemical Identifiers
| CAS Number | 339013-53-5 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3Cl |
Product Overview
ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate (CAS 339013-53-5), with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol. IUPAC: ethyl 3-[(2-chlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate.
Chemical Property Profile of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
Property Insights of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
The XLogP value of 3.5093 indicates that ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.23 Ų, ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-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 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
The CAS number of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is 339013-53-5.
What is the molecular formula of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
The molecular formula of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is C17H15ClN2O3.
What is the molecular weight of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
The molecular weight of ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is 330.08 g/mol.
Where can I buy ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
You can request a quote for ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-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 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2-chlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.