2,4-Dichloro-N-(3-nitrobenzylidene)-aniline
TL;DR: 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline (CAS 199727-13-4) is a chemical compound with molecular formula C13H8Cl2N2O2 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dichlorophenyl)-1-(3-nitrophenyl)methanimine
Also Known As: (2,4-dichlorophenyl)(3-nitrobenzylidene)amine, 2,4-DICHLORO-N-(3-NITROBENZYLIDENE)-ANILINE, N-(2,4-dichlorophenyl)-1-(3-nitrophenyl)methanimine, 2,4-dichloro-N-[(E)-(3-nitrophenyl)methylidene]aniline, (1E)-1-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-azaethene
| Molecular Formula | C13H8Cl2N2O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.99628 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 199727-13-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | WFNBZABIBUABTQ-UHFFFAOYSA-N |
Product Overview
2,4-Dichloro-N-(3-nitrobenzylidene)-aniline (CAS 199727-13-4), with molecular formula C13H8Cl2N2O2 and molecular weight 294.00 g/mol. IUPAC: N-(2,4-dichlorophenyl)-1-(3-nitrophenyl)methanimine.
Chemical Property Profile of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline
Property Insights of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline
The XLogP value of 4.3 indicates that 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-N-(3-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 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline?
The CAS number of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline is 199727-13-4.
What is the molecular formula of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline?
The molecular formula of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline is C13H8Cl2N2O2.
What is the molecular weight of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline?
The molecular weight of 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline is 294.00 g/mol.
Where can I buy 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline?
You can request a quote for 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-N-(3-nitrobenzylidene)-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.