N-(4-Acetylphenyl)-2,4,6-trinitroaniline
TL;DR: N-(4-Acetylphenyl)-2,4,6-trinitroaniline (CAS 80792-88-7) is a chemical compound with molecular formula C14H10N4O7 and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,4,6-trinitroanilino)phenyl]ethanone
Also Known As: 4'-(2,4,6-Trinitroanilino)acetophenone, N-(4-ACETYLPHENYL)-2,4,6-TRINITROANILINE, 4 -(2,4,6-Trinitroanilino)acetophenone, J1.429.499F, 1-[4-(2,4,6-Trinitroanilino)phenyl]ethanone
| Molecular Formula | C14H10N4O7 |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.05496 |
| Heavy Atoms | 25 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 80792-88-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MCHFZLVGUDDVRO-UHFFFAOYSA-N |
Product Overview
N-(4-Acetylphenyl)-2,4,6-trinitroaniline (CAS 80792-88-7), with molecular formula C14H10N4O7 and molecular weight 346.05 g/mol. IUPAC: 1-[4-(2,4,6-trinitroanilino)phenyl]ethanone.
Chemical Property Profile of N-(4-Acetylphenyl)-2,4,6-trinitroaniline
Property Insights of N-(4-Acetylphenyl)-2,4,6-trinitroaniline
The XLogP value of 3.2 indicates that N-(4-Acetylphenyl)-2,4,6-trinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting N-(4-Acetylphenyl)-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Acetylphenyl)-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 8 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-(4-Acetylphenyl)-2,4,6-trinitroaniline?
The CAS number of N-(4-Acetylphenyl)-2,4,6-trinitroaniline is 80792-88-7.
What is the molecular formula of N-(4-Acetylphenyl)-2,4,6-trinitroaniline?
The molecular formula of N-(4-Acetylphenyl)-2,4,6-trinitroaniline is C14H10N4O7.
What is the molecular weight of N-(4-Acetylphenyl)-2,4,6-trinitroaniline?
The molecular weight of N-(4-Acetylphenyl)-2,4,6-trinitroaniline is 346.05 g/mol.
Where can I buy N-(4-Acetylphenyl)-2,4,6-trinitroaniline?
You can request a quote for N-(4-Acetylphenyl)-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Acetylphenyl)-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Acetylphenyl)-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.