ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate
TL;DR: ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate (CAS 848820-13-3) is a chemical compound with molecular formula C17H13N3O2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate
Also Known As: ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate, Ethyl 2-(4-cyanophenyl)-3H-benzoimidazole-5-carboxylate, 1H-Benzimidazole-6-carboxylic acid,2-(4-cyanophenyl)-,ethyl ester
| Molecular Formula | C17H13N3O2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 3.27828 |
| Topological Polar Surface Area | 78.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.10077 |
| Heavy Atoms | 22 |
| Complexity | 873.0506 |
Chemical Identifiers
| CAS Number | 848820-13-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C#N |
Product Overview
ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate (CAS 848820-13-3), with molecular formula C17H13N3O2 and molecular weight 291.10 g/mol. IUPAC: ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate
Property Insights of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate
The XLogP value of 3.27828 indicates that ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 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-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate?
The CAS number of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate is 848820-13-3.
What is the molecular formula of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate?
The molecular formula of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate is C17H13N3O2.
What is the molecular weight of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate?
The molecular weight of ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate is 291.10 g/mol.
Where can I buy ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate?
You can request a quote for ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-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-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.