isonicotinaldehyde O-(2-phenylethyl)oxime
TL;DR: isonicotinaldehyde O-(2-phenylethyl)oxime (CAS 6267-22-7) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethoxy)-1-pyridin-4-ylmethanimine
Also Known As: 4-Pyridinealdoxime O-Phenethyl Ether, N-phenethyloxy-1-pyridin-4-ylmethanimine, isonicotinaldehyde O-(2-phenylethyl)oxime, N-(2-phenylethoxy)-1-(4-pyridyl)methanimine
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 6267-22-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCON=CC2=CC=NC=C2 |
| InChIKey | KSSSPNXPNSIVQI-UHFFFAOYSA-N |
Product Overview
isonicotinaldehyde O-(2-phenylethyl)oxime (CAS 6267-22-7), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: N-(2-phenylethoxy)-1-pyridin-4-ylmethanimine.
Chemical Property Profile of isonicotinaldehyde O-(2-phenylethyl)oxime
Property Insights of isonicotinaldehyde O-(2-phenylethyl)oxime
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isonicotinaldehyde O-(2-phenylethyl)oxime. With a topological polar surface area (TPSA) of 34.5 Ų, isonicotinaldehyde O-(2-phenylethyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isonicotinaldehyde O-(2-phenylethyl)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 isonicotinaldehyde O-(2-phenylethyl)oxime?
The CAS number of isonicotinaldehyde O-(2-phenylethyl)oxime is 6267-22-7.
What is the molecular formula of isonicotinaldehyde O-(2-phenylethyl)oxime?
The molecular formula of isonicotinaldehyde O-(2-phenylethyl)oxime is C14H14N2O.
What is the molecular weight of isonicotinaldehyde O-(2-phenylethyl)oxime?
The molecular weight of isonicotinaldehyde O-(2-phenylethyl)oxime is 226.11 g/mol.
Where can I buy isonicotinaldehyde O-(2-phenylethyl)oxime?
You can request a quote for isonicotinaldehyde O-(2-phenylethyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isonicotinaldehyde O-(2-phenylethyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for isonicotinaldehyde O-(2-phenylethyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.