4'-Cyanoacetophenone
TL;DR: 4'-Cyanoacetophenone (CAS 1443-80-7) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylbenzonitrile
Also Known As: 4-Acetylbenzonitrile, 4'-Cyanoacetophenone, Benzonitrile, 4-acetyl-, P-CYANOACETOPHENONE, p-Acetylbenzonitrile
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 1443-80-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)C#N |
| InChIKey | NLPHXWGWBKZSJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Cyanoacetophenone (CAS 1443-80-7), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 4-acetylbenzonitrile.
Chemical Property Profile of 4'-Cyanoacetophenone
Property Insights of 4'-Cyanoacetophenone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Cyanoacetophenone. With a topological polar surface area (TPSA) of 40.9 Ų, 4'-Cyanoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Cyanoacetophenone 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 4'-Cyanoacetophenone?
The CAS number of 4'-Cyanoacetophenone is 1443-80-7.
What is the molecular formula of 4'-Cyanoacetophenone?
The molecular formula of 4'-Cyanoacetophenone is C9H7NO.
What is the molecular weight of 4'-Cyanoacetophenone?
The molecular weight of 4'-Cyanoacetophenone is 145.05 g/mol.
Where can I buy 4'-Cyanoacetophenone?
You can request a quote for 4'-Cyanoacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Cyanoacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Cyanoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.