N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine
TL;DR: N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine (CAS 1164518-71-1) is a chemical compound with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[(2-nitrophenyl)methylideneamino]aniline
Also Known As: BIM-0016888.P001, AE-641/08271001, N,N-diethyl-4-[(2-nitrophenyl)methylideneamino]aniline, N,N-diethyl-N'-(2-nitrobenzylidene)-1,4-benzenediamine, N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine
| Molecular Formula | C17H19N3O2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 4.1916 |
| Topological Polar Surface Area | 58.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.14774 |
| Heavy Atoms | 22 |
| Complexity | 661.8592 |
Chemical Identifiers
| CAS Number | 1164518-71-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=CC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine (CAS 1164518-71-1), with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol. IUPAC: N,N-diethyl-4-[(2-nitrophenyl)methylideneamino]aniline.
Chemical Property Profile of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine
Property Insights of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine
The XLogP value of 4.1916 indicates that N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.74 Ų, N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine has 0 hydrogen bond donor(s) and 4 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~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine?
The CAS number of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine is 1164518-71-1.
What is the molecular formula of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine?
The molecular formula of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine is C17H19N3O2.
What is the molecular weight of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine?
The molecular weight of N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine is 297.15 g/mol.
Where can I buy N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine?
You can request a quote for N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~1~-diethyl-N~4~-(2-nitrobenzylidene)-1,4-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.