n,n-Dibenzyl-2,4-dinitroaniline
TL;DR: n,n-Dibenzyl-2,4-dinitroaniline (CAS 6652-02-4) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibenzyl-2,4-dinitroaniline
Also Known As: n,n-dibenzyl-2,4-dinitroaniline, N,N-dibenzyl-2,4-dinitro-aniline, Dibenzylamine, N-(2,4-dinitrophenyl)-, J1.381.665D
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 6652-02-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GHQHXJJEGUJPCW-UHFFFAOYSA-N |
Product Overview
n,n-Dibenzyl-2,4-dinitroaniline (CAS 6652-02-4), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: N,N-dibenzyl-2,4-dinitroaniline.
Chemical Property Profile of n,n-Dibenzyl-2,4-dinitroaniline
Property Insights of n,n-Dibenzyl-2,4-dinitroaniline
The XLogP value of 4.7 indicates that n,n-Dibenzyl-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for n,n-Dibenzyl-2,4-dinitroaniline. Following Lipinski's Rule of Five, n,n-Dibenzyl-2,4-dinitroaniline has 0 hydrogen bond donor(s) and 5 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,n-Dibenzyl-2,4-dinitroaniline?
The CAS number of n,n-Dibenzyl-2,4-dinitroaniline is 6652-02-4.
What is the molecular formula of n,n-Dibenzyl-2,4-dinitroaniline?
The molecular formula of n,n-Dibenzyl-2,4-dinitroaniline is C20H17N3O4.
What is the molecular weight of n,n-Dibenzyl-2,4-dinitroaniline?
The molecular weight of n,n-Dibenzyl-2,4-dinitroaniline is 363.12 g/mol.
Where can I buy n,n-Dibenzyl-2,4-dinitroaniline?
You can request a quote for n,n-Dibenzyl-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n-Dibenzyl-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-Dibenzyl-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.