![5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/831/831198-80-2.png)
5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 831198-80-2) is a chemical compound with molecular formula C28H30ClN5O3 and molecular weight 519.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile, 5-(3-(4-(2-(4-chlorophenoxy)ethyl)piperazin-1-yl)-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazinyl}-2-hydroxypropyl)-3-methyl-1-oxo -5,10-dihydropyridino[1,2-a]benzimidazole-4-carbonitrile, 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-hydroxy-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C28H30ClN5O3 |
|---|---|
| Molecular Weight | 519.20 g/mol |
| LogP | 3.1452 |
| Topological Polar Surface Area | 86.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.20374 |
| Heavy Atoms | 37 |
| Complexity | 1497.0541 |
Chemical Identifiers
| CAS Number | 831198-80-2 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)CCOC5=CC=C(C=C5)Cl)O |
Product Overview
5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 831198-80-2), with molecular formula C28H30ClN5O3 and molecular weight 519.20 g/mol. IUPAC: 5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 3.1452 indicates that 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile 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 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile is 831198-80-2.
What is the molecular formula of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile is C28H30ClN5O3.
What is the molecular weight of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile is 519.20 g/mol.
Where can I buy 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.