![1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/442/442572-60-3.png)
1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 442572-60-3) is a chemical compound with molecular formula C28H32N4O2 and molecular weight 456.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-pentylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[(3,4-DIMETHOXYPHENETHYL)AMINO]-3-METHYL-2-PENTYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile, 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-methyl-3-pentyl-5-hydropyridino[1,2- a]benzimidazolecarbonitrile
| Molecular Formula | C28H32N4O2 |
|---|---|
| Molecular Weight | 456.25 g/mol |
| LogP | 6.0721 |
| Topological Polar Surface Area | 71.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.25253 |
| Heavy Atoms | 34 |
| Complexity | 1350.52 |
Chemical Identifiers
| CAS Number | 442572-60-3 |
|---|---|
| SMILES | CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 442572-60-3), with molecular formula C28H32N4O2 and molecular weight 456.25 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 6.0721 indicates that 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile. Following Lipinski's Rule of Five, 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile is 442572-60-3.
What is the molecular formula of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile is C28H32N4O2.
What is the molecular weight of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile is 456.25 g/mol.
Where can I buy 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[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-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.