3-(4-Methylphenyl)benzonitrile
TL;DR: 3-(4-Methylphenyl)benzonitrile (CAS 133909-96-3) is a chemical compound with molecular formula C14H11N and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)benzonitrile
Also Known As: 3-(4-methylphenyl)benzonitrile, 4'-Methyl-[1,1'-biphenyl]-3-carbonitrile, 3-(p-tolyl)benzonitrile, 3-cyano-4'-methylbiphenyl, 4'-methylbiphenyl-3-carbonitrile
| Molecular Formula | C14H11N |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 3.5337 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.08914 |
| Heavy Atoms | 15 |
| Complexity | 503.60706 |
Chemical Identifiers
| CAS Number | 133909-96-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=CC(=C2)C#N |
Product Overview
3-(4-Methylphenyl)benzonitrile (CAS 133909-96-3), with molecular formula C14H11N and molecular weight 193.09 g/mol. IUPAC: 3-(4-methylphenyl)benzonitrile.
Chemical Property Profile of 3-(4-Methylphenyl)benzonitrile
Property Insights of 3-(4-Methylphenyl)benzonitrile
The XLogP value of 3.5337 indicates that 3-(4-Methylphenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-(4-Methylphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)benzonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Methylphenyl)benzonitrile?
The CAS number of 3-(4-Methylphenyl)benzonitrile is 133909-96-3.
What is the molecular formula of 3-(4-Methylphenyl)benzonitrile?
The molecular formula of 3-(4-Methylphenyl)benzonitrile is C14H11N.
What is the molecular weight of 3-(4-Methylphenyl)benzonitrile?
The molecular weight of 3-(4-Methylphenyl)benzonitrile is 193.09 g/mol.
Where can I buy 3-(4-Methylphenyl)benzonitrile?
You can request a quote for 3-(4-Methylphenyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.