1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-
TL;DR: 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- (CAS 111454-05-8) is a chemical compound with molecular formula C18H14N4O4 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(2,4-dinitrophenyl)-1-N-phenylbenzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-, AE-641/30076010, 4-N-(2,4-dinitrophenyl)-1-N-phenylbenzene-1,4-diamine, 1,4-Benzenediamine,N-(2,4-dinitrophenyl)-N'-phenyl, N~1~-(2,4-dinitrophenyl)-N~4~-phenyl-1,4-benzenediamine
| Molecular Formula | C18H14N4O4 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 4.9902 |
| Topological Polar Surface Area | 110.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1015 |
| Heavy Atoms | 26 |
| Complexity | 943.16473 |
Chemical Identifiers
| CAS Number | 111454-05-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- (CAS 111454-05-8), with molecular formula C18H14N4O4 and molecular weight 350.10 g/mol. IUPAC: 4-N-(2,4-dinitrophenyl)-1-N-phenylbenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-
Property Insights of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-
The XLogP value of 4.9902 indicates that 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- has 2 hydrogen bond donor(s) and 6 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 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-?
The CAS number of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- is 111454-05-8.
What is the molecular formula of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-?
The molecular formula of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- is C18H14N4O4.
What is the molecular weight of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-?
The molecular weight of 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- is 350.10 g/mol.
Where can I buy 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-?
You can request a quote for 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N-(2,4-dinitrophenyl)-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.