![3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/848/848995-37-9.png)
3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 848995-37-9) is a chemical compound with molecular formula C21H17N3S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[(4-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5747466:001, 2-methyl-4-[(4-methylphenyl)methylthio]-5-hydropyridino[1,2-a]benzimidazolecar bonitrile, 3-methyl-1-((4-methylbenzyl)thio)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 3-methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-[(4-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C21H17N3S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 5.26832 |
| Topological Polar Surface Area | 41.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.11432 |
| Heavy Atoms | 25 |
| Complexity | 1118.0021 |
Chemical Identifiers
| CAS Number | 848995-37-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C |
Product Overview
3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 848995-37-9), with molecular formula C21H17N3S and molecular weight 343.11 g/mol. IUPAC: 3-methyl-1-[(4-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 5.26832 indicates that 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[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 41.09 Ų, 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile has 0 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 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is 848995-37-9.
What is the molecular formula of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is C21H17N3S.
What is the molecular weight of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is 343.11 g/mol.
Where can I buy 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[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 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.