3-(3-Acetylphenyl)benzonitrile
TL;DR: 3-(3-Acetylphenyl)benzonitrile (CAS 893735-33-6) is a chemical compound with molecular formula C15H11NO and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-acetylphenyl)benzonitrile
Also Known As: 3-(3-acetylphenyl)benzonitrile, 3'-Acetyl[1,1'-biphenyl]-3-carbonitrile, BB 0223041, 3-(3-METHYLTHIOPHEN-2-YL)BENZALDEHYDE
| Molecular Formula | C15H11NO |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 3.42788 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.08406 |
| Heavy Atoms | 17 |
| Complexity | 608.314 |
Chemical Identifiers
| CAS Number | 893735-33-6 |
|---|---|
| SMILES | CC(=O)C1=CC=CC(=C1)C2=CC=CC(=C2)C#N |
Product Overview
3-(3-Acetylphenyl)benzonitrile (CAS 893735-33-6), with molecular formula C15H11NO and molecular weight 221.08 g/mol. IUPAC: 3-(3-acetylphenyl)benzonitrile.
Chemical Property Profile of 3-(3-Acetylphenyl)benzonitrile
Property Insights of 3-(3-Acetylphenyl)benzonitrile
The XLogP value of 3.42788 indicates that 3-(3-Acetylphenyl)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-(3-Acetylphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Acetylphenyl)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-(3-Acetylphenyl)benzonitrile?
The CAS number of 3-(3-Acetylphenyl)benzonitrile is 893735-33-6.
What is the molecular formula of 3-(3-Acetylphenyl)benzonitrile?
The molecular formula of 3-(3-Acetylphenyl)benzonitrile is C15H11NO.
What is the molecular weight of 3-(3-Acetylphenyl)benzonitrile?
The molecular weight of 3-(3-Acetylphenyl)benzonitrile is 221.08 g/mol.
Where can I buy 3-(3-Acetylphenyl)benzonitrile?
You can request a quote for 3-(3-Acetylphenyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Acetylphenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Acetylphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.