4-Pyridinecarbaldehyde oxime
TL;DR: 4-Pyridinecarbaldehyde oxime (CAS 696-54-8) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-4-ylmethylidene)hydroxylamine
Also Known As: 4-Pyridinealdoxime, Pyridine-4-aldoxime, Isonicotinaldehyde oxime, Isonicotinaldoxime, 4-Pyridinaldoxime
| Molecular Formula | C6H6N2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.04801 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 696-54-8 |
|---|---|
| SMILES | C1=CN=CC=C1C=NO |
| InChIKey | OFYLBLSSPQTTHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyridinecarbaldehyde oxime (CAS 696-54-8), with molecular formula C6H6N2O and molecular weight 122.05 g/mol. IUPAC: N-(pyridin-4-ylmethylidene)hydroxylamine.
Chemical Property Profile of 4-Pyridinecarbaldehyde oxime
Property Insights of 4-Pyridinecarbaldehyde oxime
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarbaldehyde oxime. With a topological polar surface area (TPSA) of 45.5 Ų, 4-Pyridinecarbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinecarbaldehyde 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-Pyridinecarbaldehyde oxime?
The CAS number of 4-Pyridinecarbaldehyde oxime is 696-54-8.
What is the molecular formula of 4-Pyridinecarbaldehyde oxime?
The molecular formula of 4-Pyridinecarbaldehyde oxime is C6H6N2O.
What is the molecular weight of 4-Pyridinecarbaldehyde oxime?
The molecular weight of 4-Pyridinecarbaldehyde oxime is 122.05 g/mol.
Where can I buy 4-Pyridinecarbaldehyde oxime?
You can request a quote for 4-Pyridinecarbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.