o-Benzylnicotinaldoxime
TL;DR: o-Benzylnicotinaldoxime (CAS 71172-64-0) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylmethoxy-1-pyridin-3-ylmethanimine
Also Known As: o-Benzylnicotinaldoxime, N-phenylmethoxy-1-pyridin-3-ylmethanimine, N-(phenylmethoxy)-1-pyridin-3-ylmethanimine, 3-Pyridinecarboxaldehyde, O-(phenylmethyl)oxime
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 71172-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CON=CC2=CN=CC=C2 |
| InChIKey | KZWHYRYIEHREEV-UHFFFAOYSA-N |
Product Overview
o-Benzylnicotinaldoxime (CAS 71172-64-0), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: N-phenylmethoxy-1-pyridin-3-ylmethanimine.
Chemical Property Profile of o-Benzylnicotinaldoxime
Property Insights of o-Benzylnicotinaldoxime
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Benzylnicotinaldoxime. With a topological polar surface area (TPSA) of 34.5 Ų, o-Benzylnicotinaldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Benzylnicotinaldoxime 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 o-Benzylnicotinaldoxime?
The CAS number of o-Benzylnicotinaldoxime is 71172-64-0.
What is the molecular formula of o-Benzylnicotinaldoxime?
The molecular formula of o-Benzylnicotinaldoxime is C13H12N2O.
What is the molecular weight of o-Benzylnicotinaldoxime?
The molecular weight of o-Benzylnicotinaldoxime is 212.09 g/mol.
Where can I buy o-Benzylnicotinaldoxime?
You can request a quote for o-Benzylnicotinaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Benzylnicotinaldoxime?
Yes, KEHONG BIO provides custom synthesis services for o-Benzylnicotinaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.