![1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/305/305336-14-5.png)
1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 305336-14-5) is a chemical compound with molecular formula C28H31ClN4 and molecular weight 458.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3-chloro-4-methylphenyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[(3-chloro-4-methylphenyl)amino]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, 4-[(3-chloro-4-methylphenyl)amino]-2-methyl-3-octyl-5-hydropyridino[1,2-a]benz imidazolecarbonitrile
| Molecular Formula | C28H31ClN4 |
|---|---|
| Molecular Weight | 458.22 g/mol |
| LogP | 8.27602 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.22372 |
| Heavy Atoms | 33 |
| Complexity | 1329.7217 |
Chemical Identifiers
| CAS Number | 305336-14-5 |
|---|---|
| SMILES | CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC(=C(C=C4)C)Cl |
Product Overview
1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 305336-14-5), with molecular formula C28H31ClN4 and molecular weight 458.22 g/mol. IUPAC: 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 8.27602 indicates that 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is 305336-14-5.
What is the molecular formula of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is C28H31ClN4.
What is the molecular weight of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is 458.22 g/mol.
Where can I buy 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[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 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.