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1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 342596-70-7) is a chemical compound with molecular formula C27H30N4 and molecular weight 410.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, AF-399/13080006, 3-methyl-2-octyl-1-(phenylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-methyl-3-octyl-4-(phenylamino)-5-hydropyridino[1,2-a]benzimidazolecarbonitri le, 3-methyl-2-octyl-1-(phenylamino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C27H30N4 |
|---|---|
| Molecular Weight | 410.25 g/mol |
| LogP | 7.3142 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.24704 |
| Heavy Atoms | 31 |
| Complexity | 1215.1765 |
Chemical Identifiers
| CAS Number | 342596-70-7 |
|---|---|
| SMILES | CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=CC=C4 |
Product Overview
1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 342596-70-7), with molecular formula C27H30N4 and molecular weight 410.25 g/mol. IUPAC: 1-anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 7.3142 indicates that 1-Anilino-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-Anilino-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-Anilino-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-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is 342596-70-7.
What is the molecular formula of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is C27H30N4.
What is the molecular weight of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile is 410.25 g/mol.
Where can I buy 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 1-Anilino-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-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.