4-Cyanobenzaldehyde oxime
TL;DR: 4-Cyanobenzaldehyde oxime (CAS 52707-54-7) is a chemical compound with molecular formula C8H6N2O and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxyiminomethyl)benzonitrile
Also Known As: 4-cyanobenzaldoxime, 4-cyano-benzaldoxime, 4-CYANOBENZALDEHYDE OXIME, 4-(hydroxyiminomethyl)benzonitrile, 4-[(hydroxyimino)methyl]Benzonitrile
| Molecular Formula | C8H6N2O |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 1.36638 |
| Topological Polar Surface Area | 56.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04802 |
| Heavy Atoms | 11 |
| Complexity | 294.86325 |
Chemical Identifiers
| CAS Number | 52707-54-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NO)C#N |
Product Overview
4-Cyanobenzaldehyde oxime (CAS 52707-54-7), with molecular formula C8H6N2O and molecular weight 146.05 g/mol. IUPAC: 4-(hydroxyiminomethyl)benzonitrile.
Chemical Property Profile of 4-Cyanobenzaldehyde oxime
Property Insights of 4-Cyanobenzaldehyde oxime
The XLogP value of 1.36638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzaldehyde oxime. With a topological polar surface area (TPSA) of 56.38 Ų, 4-Cyanobenzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzaldehyde oxime has 1 hydrogen bond donor(s) and 3 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-Cyanobenzaldehyde oxime?
The CAS number of 4-Cyanobenzaldehyde oxime is 52707-54-7.
What is the molecular formula of 4-Cyanobenzaldehyde oxime?
The molecular formula of 4-Cyanobenzaldehyde oxime is C8H6N2O.
What is the molecular weight of 4-Cyanobenzaldehyde oxime?
The molecular weight of 4-Cyanobenzaldehyde oxime is 146.05 g/mol.
Where can I buy 4-Cyanobenzaldehyde oxime?
You can request a quote for 4-Cyanobenzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.