4-Acetyl-2',4'-dinitrodiphenylamine
TL;DR: 4-Acetyl-2',4'-dinitrodiphenylamine (CAS 40950-03-6) is a chemical compound with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,4-dinitroanilino)phenyl]ethanone
Also Known As: 4'-(2,4-Dinitroanilino)acetophenone, 4-ACETYL-2',4'-DINITRODIPHENYLAMINE, 4 -(2,4-Dinitroanilino)acetophenone, 1-[4-(2,4-Dinitroanilino)phenyl]ethanone, 1-[4-(2,4-Dinitroanilino)phenyl]ethanone #
| Molecular Formula | C14H11N3O5 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0699 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 40950-03-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UWAKENCORRGANN-UHFFFAOYSA-N |
Product Overview
4-Acetyl-2',4'-dinitrodiphenylamine (CAS 40950-03-6), with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol. IUPAC: 1-[4-(2,4-dinitroanilino)phenyl]ethanone.
Chemical Property Profile of 4-Acetyl-2',4'-dinitrodiphenylamine
Property Insights of 4-Acetyl-2',4'-dinitrodiphenylamine
The XLogP value of 3.4 indicates that 4-Acetyl-2',4'-dinitrodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-2',4'-dinitrodiphenylamine. Following Lipinski's Rule of Five, 4-Acetyl-2',4'-dinitrodiphenylamine has 1 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 4-Acetyl-2',4'-dinitrodiphenylamine?
The CAS number of 4-Acetyl-2',4'-dinitrodiphenylamine is 40950-03-6.
What is the molecular formula of 4-Acetyl-2',4'-dinitrodiphenylamine?
The molecular formula of 4-Acetyl-2',4'-dinitrodiphenylamine is C14H11N3O5.
What is the molecular weight of 4-Acetyl-2',4'-dinitrodiphenylamine?
The molecular weight of 4-Acetyl-2',4'-dinitrodiphenylamine is 301.07 g/mol.
Where can I buy 4-Acetyl-2',4'-dinitrodiphenylamine?
You can request a quote for 4-Acetyl-2',4'-dinitrodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-2',4'-dinitrodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-2',4'-dinitrodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.