![methyl(p-tolyl)[?]carbonitrile structure](/static/products/1666/166671-41-6.webp)
methyl(p-tolyl)[?]carbonitrile
TL;DR: methyl(p-tolyl)[?]carbonitrile (CAS 166671-41-6) is a chemical compound with molecular formula C22H18N4 and molecular weight 338.15314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-3-(4-methylphenyl)-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile
Also Known As: methyl(p-tolyl)[?]carbonitrile, NCI60_023015, AB00765079-01, AE-406/41056510, 4-Methyl-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile
Technical Specifications
| Molecular Formula | C22H18N4 |
| Molecular Weight | 338.15314 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.15314 Da |
| Heavy Atoms | 26 |
| Complexity | 574.0 |
| SMILES | CC1=CC=C(C=C1)N2CCC3=C2N4C5=CC=CC=C5N=C4C(=C3C)C#N |
| InChIKey | GTIRMXNUAWBMSE-UHFFFAOYSA-N |
Chemical Property Profile of methyl(p-tolyl)[?]carbonitrile
Property Insights of methyl(p-tolyl)[?]carbonitrile
The XLogP value of 5.7 indicates that methyl(p-tolyl)[?]carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, methyl(p-tolyl)[?]carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(p-tolyl)[?]carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of methyl(p-tolyl)[?]carbonitrile?
The CAS number of methyl(p-tolyl)[?]carbonitrile is 166671-41-6.
What is the molecular formula of methyl(p-tolyl)[?]carbonitrile?
The molecular formula of methyl(p-tolyl)[?]carbonitrile is C22H18N4.
What is the molecular weight of methyl(p-tolyl)[?]carbonitrile?
The molecular weight of methyl(p-tolyl)[?]carbonitrile is 338.15314 g/mol.
Where can I buy methyl(p-tolyl)[?]carbonitrile?
You can request a quote for methyl(p-tolyl)[?]carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl(p-tolyl)[?]carbonitrile?
Yes, CoreyChem provides custom synthesis services for methyl(p-tolyl)[?]carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.