![ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate structure](/static/products/459/459791-86-7.png)
ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
TL;DR: ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate (CAS 459791-86-7) is a chemical compound with molecular formula C29H31N5O2 and molecular weight 481.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Also Known As: ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate, ethyl 3-(1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-2-yl)propanoate, ethyl 3-{4-cyano-3-methyl-1-[4-benzylpiperazinyl]-10-hydropyridino[1,2-a]benzi midazol-2-yl}propanoate
| Molecular Formula | C29H31N5O2 |
|---|---|
| Molecular Weight | 481.25 g/mol |
| LogP | 4.4855 |
| Topological Polar Surface Area | 73.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.24777 |
| Heavy Atoms | 36 |
| Complexity | 1429.3468 |
Chemical Identifiers
| CAS Number | 459791-86-7 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate (CAS 459791-86-7), with molecular formula C29H31N5O2 and molecular weight 481.25 g/mol. IUPAC: ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate.
Chemical Property Profile of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Property Insights of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
The XLogP value of 4.4855 indicates that ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-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 73.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate. Following Lipinski's Rule of Five, ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate has 0 hydrogen bond donor(s) and 6 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-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
The CAS number of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is 459791-86-7.
What is the molecular formula of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
The molecular formula of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is C29H31N5O2.
What is the molecular weight of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
The molecular weight of ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate is 481.25 g/mol.
Where can I buy ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
You can request a quote for ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-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-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.