N-Vanillylidene aniline
TL;DR: N-Vanillylidene aniline (CAS 17696-53-6) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-(phenyliminomethyl)phenol
Also Known As: N-Vanillylidene aniline, 2-Methoxy-4-[(phenylimino)methyl]phenol, Phenol, 2-methoxy-4-[(E)-(phenylimino)methyl]-, N-(3-methoxy-4-hydroxybenzylidene)aniline, N-(4-Hydroxy-3-methoxybenzylidene)aniline
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 17696-53-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=NC2=CC=CC=C2)O |
| InChIKey | NQTPEBUGIFUYEC-UHFFFAOYSA-N |
Product Overview
N-Vanillylidene aniline (CAS 17696-53-6), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 2-methoxy-4-(phenyliminomethyl)phenol.
Chemical Property Profile of N-Vanillylidene aniline
Property Insights of N-Vanillylidene aniline
The XLogP value of 3.0 indicates that N-Vanillylidene aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, N-Vanillylidene aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Vanillylidene aniline 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 N-Vanillylidene aniline?
The CAS number of N-Vanillylidene aniline is 17696-53-6.
What is the molecular formula of N-Vanillylidene aniline?
The molecular formula of N-Vanillylidene aniline is C14H13NO2.
What is the molecular weight of N-Vanillylidene aniline?
The molecular weight of N-Vanillylidene aniline is 227.09 g/mol.
Where can I buy N-Vanillylidene aniline?
You can request a quote for N-Vanillylidene aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Vanillylidene aniline?
Yes, KEHONG BIO provides custom synthesis services for N-Vanillylidene aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.