![methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate structure](/static/products/845/845664-30-4.png)
methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate
TL;DR: methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate (CAS 845664-30-4) is a chemical compound with molecular formula C28H27Cl2N5O2 and molecular weight 535.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-cyano-1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Also Known As: methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate, methyl 3-(4-cyano-1-(4-(3,4-dichlorobenzyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-2-yl)propanoate, methyl 3-[4-cyano-1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate, methyl 3-{4-cyano-1-[4-(3,4-dichlorobenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazol-2-yl}propanoate
| Molecular Formula | C28H27Cl2N5O2 |
|---|---|
| Molecular Weight | 535.15 g/mol |
| LogP | 5.4022 |
| Topological Polar Surface Area | 73.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1542 |
| Heavy Atoms | 37 |
| Complexity | 1533.6385 |
Chemical Identifiers
| CAS Number | 845664-30-4 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)OC)N4CCN(CC4)CC5=CC(=C(C=C5)Cl)Cl)C#N |
Product Overview
methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate (CAS 845664-30-4), with molecular formula C28H27Cl2N5O2 and molecular weight 535.15 g/mol. IUPAC: methyl 3-[4-cyano-1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate.
Chemical Property Profile of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate
Property Insights of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate
The XLogP value of 5.4022 indicates that methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[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 methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate has 0 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 methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate?
The CAS number of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate is 845664-30-4.
What is the molecular formula of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate?
The molecular formula of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate is C28H27Cl2N5O2.
What is the molecular weight of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate?
The molecular weight of methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate is 535.15 g/mol.
Where can I buy methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate?
You can request a quote for methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[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 methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1-{4-[(3,4-dichlorophenyl)methyl]piperazinyl}-4-cyano-3-methyl-10-hy dropyridino[1,2-a]benzimidazol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.