![1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/3053/305336-00-9.webp)
1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 305336-00-9) is a chemical compound with molecular formula C31H38N4O2 and molecular weight 498.30 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-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, F1092-0478, 13-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-11-methyl-12-octyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C31H38N4O2 |
|---|---|
| Molecular Weight | 498.30 g/mol |
| LogP | 7.2424 |
| Topological Polar Surface Area | 71.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 498.29947 |
| Heavy Atoms | 37 |
| Complexity | 1400.3556 |
Chemical Identifiers
| CAS Number | 305336-00-9 |
|---|---|
| SMILES | CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 305336-00-9), with molecular formula C31H38N4O2 and molecular weight 498.30 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 7.2424 indicates that 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-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-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile. Following Lipinski's Rule of Five, 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-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-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 305336-00-9.
What is the molecular formula of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C31H38N4O2.
What is the molecular weight of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 498.30 g/mol.
Where can I buy 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-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-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-((3,4-dimethoxyphenethyl)amino)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.