Oxo-P-tolyl-acetonitrile
TL;DR: Oxo-P-tolyl-acetonitrile (CAS 14271-73-9) 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-methylbenzoyl cyanide
Also Known As: 4-methylbenzoyl cyanide, Oxo-p-tolyl-acetonitrile, 4-methylbenzoylcyanide, p-toluoyl cyanide, (4-methylphenyl)(oxo)acetonitrile
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 2.3 |
| 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 | 14271-73-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C#N |
| InChIKey | ZZHRFRDHPAPENB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxo-P-tolyl-acetonitrile (CAS 14271-73-9), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 4-methylbenzoyl cyanide.
Chemical Property Profile of Oxo-P-tolyl-acetonitrile
Property Insights of Oxo-P-tolyl-acetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxo-P-tolyl-acetonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, Oxo-P-tolyl-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxo-P-tolyl-acetonitrile 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 Oxo-P-tolyl-acetonitrile?
The CAS number of Oxo-P-tolyl-acetonitrile is 14271-73-9.
What is the molecular formula of Oxo-P-tolyl-acetonitrile?
The molecular formula of Oxo-P-tolyl-acetonitrile is C9H7NO.
What is the molecular weight of Oxo-P-tolyl-acetonitrile?
The molecular weight of Oxo-P-tolyl-acetonitrile is 145.05 g/mol.
Where can I buy Oxo-P-tolyl-acetonitrile?
You can request a quote for Oxo-P-tolyl-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxo-P-tolyl-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Oxo-P-tolyl-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.