N-Benzylidene-4-nitroaniline
TL;DR: N-Benzylidene-4-nitroaniline (CAS 1613-94-1) 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.
N-(4-nitrophenyl)-1-phenylmethanimine
Also Known As: p-nitrobenzalaniline, N-Benzylidene-4-nitroaniline, Benzyliden-4-nitroanilin, AURORA KA-4822, Benzenamine, 4-nitro-N-(phenylmethylene)-
| 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 | 1613-94-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NYJOAZXGKLCRSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylidene-4-nitroaniline (CAS 1613-94-1), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: N-(4-nitrophenyl)-1-phenylmethanimine.
Chemical Property Profile of N-Benzylidene-4-nitroaniline
Property Insights of N-Benzylidene-4-nitroaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylidene-4-nitroaniline. With a topological polar surface area (TPSA) of 58.2 Ų, N-Benzylidene-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylidene-4-nitroaniline 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 N-Benzylidene-4-nitroaniline?
The CAS number of N-Benzylidene-4-nitroaniline is 1613-94-1.
What is the molecular formula of N-Benzylidene-4-nitroaniline?
The molecular formula of N-Benzylidene-4-nitroaniline is C13H10N2O2.
What is the molecular weight of N-Benzylidene-4-nitroaniline?
The molecular weight of N-Benzylidene-4-nitroaniline is 226.07 g/mol.
Where can I buy N-Benzylidene-4-nitroaniline?
You can request a quote for N-Benzylidene-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylidene-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylidene-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.