4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime
TL;DR: 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime (CAS 72989-79-8) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(2-methylprop-2-enoxy)-1-pyridin-4-ylmethanimine
Also Known As: 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime, RefChem:1071503, BRN 1451232
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.0082 |
| Topological Polar Surface Area | 34.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 293.0529 |
Chemical Identifiers
| CAS Number | 72989-79-8 |
|---|---|
| SMILES | CC(=C)CO/N=C/C1=CC=NC=C1 |
Product Overview
4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime (CAS 72989-79-8), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: (E)-N-(2-methylprop-2-enoxy)-1-pyridin-4-ylmethanimine.
Chemical Property Profile of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime
Property Insights of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime
The XLogP value of 2.0082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime. With a topological polar surface area (TPSA) of 34.48 Ų, 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime has 0 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-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime?
The CAS number of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime is 72989-79-8.
What is the molecular formula of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime?
The molecular formula of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime is C10H12N2O.
What is the molecular weight of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime?
The molecular weight of 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime is 176.09 g/mol.
Where can I buy 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime?
You can request a quote for 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarboxaldehyde, O-(2-methyl-2-propenyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.