(4-Nitrobenzylidene)aniline
TL;DR: (4-Nitrobenzylidene)aniline (CAS 785-80-8) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-N-phenylmethanimine
Also Known As: 4-Nitrobenzalaniline, p-Nitrobenzaldehyde anil, 4-Nitrobenzal-anilin, 4-Nitrobenzylideneaniline, N-(4-nitrobenzylidene)aniline
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 785-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GKSAMSVGROLNRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Nitrobenzylidene)aniline (CAS 785-80-8), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: 1-(4-nitrophenyl)-N-phenylmethanimine.
Chemical Property Profile of (4-Nitrobenzylidene)aniline
Property Insights of (4-Nitrobenzylidene)aniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrobenzylidene)aniline. With a topological polar surface area (TPSA) of 58.2 Ų, (4-Nitrobenzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Nitrobenzylidene)aniline 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-Nitrobenzylidene)aniline?
The CAS number of (4-Nitrobenzylidene)aniline is 785-80-8.
What is the molecular formula of (4-Nitrobenzylidene)aniline?
The molecular formula of (4-Nitrobenzylidene)aniline is C13H10N2O2.
What is the molecular weight of (4-Nitrobenzylidene)aniline?
The molecular weight of (4-Nitrobenzylidene)aniline is 226.07 g/mol.
Where can I buy (4-Nitrobenzylidene)aniline?
You can request a quote for (4-Nitrobenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrobenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrobenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.