2-(3-Cyanophenyl)acetophenone
TL;DR: 2-(3-Cyanophenyl)acetophenone (CAS 62043-83-8) 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-phenacylbenzonitrile
Also Known As: 2-(3-CYANOPHENYL)ACETOPHENONE, 3-phenacylbenzonitrile, 3-(2-oxo-2-phenylethyl)benzonitrile, RefChem:251511
| Molecular Formula | C15H11NO |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 2.98368 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.08406 |
| Heavy Atoms | 17 |
| Complexity | 566.9757 |
Chemical Identifiers
| CAS Number | 62043-83-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC2=CC(=CC=C2)C#N |
Product Overview
2-(3-Cyanophenyl)acetophenone (CAS 62043-83-8), with molecular formula C15H11NO and molecular weight 221.08 g/mol. IUPAC: 3-phenacylbenzonitrile.
Chemical Property Profile of 2-(3-Cyanophenyl)acetophenone
Property Insights of 2-(3-Cyanophenyl)acetophenone
The XLogP value of 2.98368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyanophenyl)acetophenone. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(3-Cyanophenyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Cyanophenyl)acetophenone 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 2-(3-Cyanophenyl)acetophenone?
The CAS number of 2-(3-Cyanophenyl)acetophenone is 62043-83-8.
What is the molecular formula of 2-(3-Cyanophenyl)acetophenone?
The molecular formula of 2-(3-Cyanophenyl)acetophenone is C15H11NO.
What is the molecular weight of 2-(3-Cyanophenyl)acetophenone?
The molecular weight of 2-(3-Cyanophenyl)acetophenone is 221.08 g/mol.
Where can I buy 2-(3-Cyanophenyl)acetophenone?
You can request a quote for 2-(3-Cyanophenyl)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Cyanophenyl)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Cyanophenyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.