3-Methyl-4-phenylbenzonitrile
TL;DR: 3-Methyl-4-phenylbenzonitrile (CAS 5002-17-5) 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-methyl-4-phenylbenzonitrile
Also Known As: 3-Methyl-4-phenylbenzonitrile, 3-methyl-4-phenyl-benzonitrile, 2-methyl-[1,1'-biphenyl]-4-carbonitrile, 2-Methyl[1,1'-biphenyl]-4-carbonitrile, A1-96501
| 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 | 506.60706 |
Chemical Identifiers
| CAS Number | 5002-17-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C#N)C2=CC=CC=C2 |
Product Overview
3-Methyl-4-phenylbenzonitrile (CAS 5002-17-5), with molecular formula C14H11N and molecular weight 193.09 g/mol. IUPAC: 3-methyl-4-phenylbenzonitrile.
Chemical Property Profile of 3-Methyl-4-phenylbenzonitrile
Property Insights of 3-Methyl-4-phenylbenzonitrile
The XLogP value of 3.5337 indicates that 3-Methyl-4-phenylbenzonitrile 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-Methyl-4-phenylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenylbenzonitrile 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-Methyl-4-phenylbenzonitrile?
The CAS number of 3-Methyl-4-phenylbenzonitrile is 5002-17-5.
What is the molecular formula of 3-Methyl-4-phenylbenzonitrile?
The molecular formula of 3-Methyl-4-phenylbenzonitrile is C14H11N.
What is the molecular weight of 3-Methyl-4-phenylbenzonitrile?
The molecular weight of 3-Methyl-4-phenylbenzonitrile is 193.09 g/mol.
Where can I buy 3-Methyl-4-phenylbenzonitrile?
You can request a quote for 3-Methyl-4-phenylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.