3-Pyridinecarboxaldehyde, O-propyloxime
TL;DR: 3-Pyridinecarboxaldehyde, O-propyloxime (CAS 62138-01-6) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-propoxy-1-pyridin-3-ylmethanimine
Also Known As: Nicotinaldehyde O-propyloxime, o-Propylnicotinaldoxime, nicotinaldehydeO-propyloxime, EINECS 228-437-4, 3-Pyridinecarboxaldehyde, O-propyloxime
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.8421 |
| Topological Polar Surface Area | 34.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 233.54367 |
Chemical Identifiers
| CAS Number | 62138-01-6 |
|---|---|
| SMILES | CCCO/N=C/C1=CN=CC=C1 |
Product Overview
3-Pyridinecarboxaldehyde, O-propyloxime (CAS 62138-01-6), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: (E)-N-propoxy-1-pyridin-3-ylmethanimine.
Chemical Property Profile of 3-Pyridinecarboxaldehyde, O-propyloxime
Property Insights of 3-Pyridinecarboxaldehyde, O-propyloxime
The XLogP value of 1.8421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxaldehyde, O-propyloxime. With a topological polar surface area (TPSA) of 34.48 Ų, 3-Pyridinecarboxaldehyde, O-propyloxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxaldehyde, O-propyloxime 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 3-Pyridinecarboxaldehyde, O-propyloxime?
The CAS number of 3-Pyridinecarboxaldehyde, O-propyloxime is 62138-01-6.
What is the molecular formula of 3-Pyridinecarboxaldehyde, O-propyloxime?
The molecular formula of 3-Pyridinecarboxaldehyde, O-propyloxime is C9H12N2O.
What is the molecular weight of 3-Pyridinecarboxaldehyde, O-propyloxime?
The molecular weight of 3-Pyridinecarboxaldehyde, O-propyloxime is 164.09 g/mol.
Where can I buy 3-Pyridinecarboxaldehyde, O-propyloxime?
You can request a quote for 3-Pyridinecarboxaldehyde, O-propyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxaldehyde, O-propyloxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxaldehyde, O-propyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.