![3-[2-(4-Methylphenyl)acetyl]benzonitrile structure](/static/products/4655/465514-72-1.webp)
3-[2-(4-Methylphenyl)acetyl]benzonitrile
TL;DR: 3-[2-(4-Methylphenyl)acetyl]benzonitrile (CAS 465514-72-1) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-methylphenyl)acetyl]benzonitrile
Also Known As: 3-[2-(4-methylphenyl)acetyl]benzonitrile, 3-[(4-Methylphenyl)acetyl]benzonitrile, 4-[2-(3-methoxyphenyl)-1-oxoethyl]benzonitrile
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.2921 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 605.73926 |
Chemical Identifiers
| CAS Number | 465514-72-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)C2=CC=CC(=C2)C#N |
Product Overview
3-[2-(4-Methylphenyl)acetyl]benzonitrile (CAS 465514-72-1), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 3-[2-(4-methylphenyl)acetyl]benzonitrile.
Chemical Property Profile of 3-[2-(4-Methylphenyl)acetyl]benzonitrile
Property Insights of 3-[2-(4-Methylphenyl)acetyl]benzonitrile
The XLogP value of 3.2921 indicates that 3-[2-(4-Methylphenyl)acetyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-[2-(4-Methylphenyl)acetyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-Methylphenyl)acetyl]benzonitrile has 0 hydrogen bond donor(s) and 2 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-[2-(4-Methylphenyl)acetyl]benzonitrile?
The CAS number of 3-[2-(4-Methylphenyl)acetyl]benzonitrile is 465514-72-1.
What is the molecular formula of 3-[2-(4-Methylphenyl)acetyl]benzonitrile?
The molecular formula of 3-[2-(4-Methylphenyl)acetyl]benzonitrile is C16H13NO.
What is the molecular weight of 3-[2-(4-Methylphenyl)acetyl]benzonitrile?
The molecular weight of 3-[2-(4-Methylphenyl)acetyl]benzonitrile is 235.10 g/mol.
Where can I buy 3-[2-(4-Methylphenyl)acetyl]benzonitrile?
You can request a quote for 3-[2-(4-Methylphenyl)acetyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Methylphenyl)acetyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Methylphenyl)acetyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.