![ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate structure](/static/products/459/459791-91-4.png)
ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
TL;DR: ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate (CAS 459791-91-4) is a chemical compound with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Also Known As: ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate, ethyl 3-{4-cyano-1-[(4-ethoxyphenyl)amino]-3-methylpyrido[1,2-a]benzimidazol-2-yl}propanoate, ethyl 3-(4-cyano-1-((4-ethoxyphenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-2-yl)propanoate
| Molecular Formula | C26H26N4O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 5.3056 |
| Topological Polar Surface Area | 88.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.2005 |
| Heavy Atoms | 33 |
| Complexity | 1350.4731 |
Chemical Identifiers
| CAS Number | 459791-91-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CCC(=O)OCC |
Product Overview
ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate (CAS 459791-91-4), with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol. IUPAC: ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate.
Chemical Property Profile of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Property Insights of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
The XLogP value of 5.3056 indicates that ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate. Following Lipinski's Rule of Five, ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
The CAS number of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is 459791-91-4.
What is the molecular formula of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
The molecular formula of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is C26H26N4O3.
What is the molecular weight of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
The molecular weight of ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is 442.20 g/mol.
Where can I buy ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
You can request a quote for ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[4-cyano-1-(4-ethoxyanilino)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.