4'-Iodo-2,4,6-trinitrodiphenylamine
TL;DR: 4'-Iodo-2,4,6-trinitrodiphenylamine (CAS 60411-23-6) is a chemical compound with molecular formula C12H7IN4O6 and molecular weight 429.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodophenyl)-2,4,6-trinitroaniline
Also Known As: N-picryl-p-iodoaniline, (4-iodo-phenyl)-picryl-amine, 4'-Iodo-2,4,6-trinitrodiphenylamine, N-(4-iodophenyl)-2,4,6-trinitroaniline, 4 -Iodo-2,4,6-trinitrodiphenylamine
| Molecular Formula | C12H7IN4O6 |
|---|---|
| Molecular Weight | 429.94 g/mol |
| LogP | 3.7594 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.94104 |
| Heavy Atoms | 23 |
| Complexity | 772.69336 |
Chemical Identifiers
| CAS Number | 60411-23-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])I |
Product Overview
4'-Iodo-2,4,6-trinitrodiphenylamine (CAS 60411-23-6), with molecular formula C12H7IN4O6 and molecular weight 429.94 g/mol. IUPAC: N-(4-iodophenyl)-2,4,6-trinitroaniline.
Chemical Property Profile of 4'-Iodo-2,4,6-trinitrodiphenylamine
Property Insights of 4'-Iodo-2,4,6-trinitrodiphenylamine
The XLogP value of 3.7594 indicates that 4'-Iodo-2,4,6-trinitrodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.45 Ų indicates high polarity, suggesting 4'-Iodo-2,4,6-trinitrodiphenylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Iodo-2,4,6-trinitrodiphenylamine has 1 hydrogen bond donor(s) and 7 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'-Iodo-2,4,6-trinitrodiphenylamine?
The CAS number of 4'-Iodo-2,4,6-trinitrodiphenylamine is 60411-23-6.
What is the molecular formula of 4'-Iodo-2,4,6-trinitrodiphenylamine?
The molecular formula of 4'-Iodo-2,4,6-trinitrodiphenylamine is C12H7IN4O6.
What is the molecular weight of 4'-Iodo-2,4,6-trinitrodiphenylamine?
The molecular weight of 4'-Iodo-2,4,6-trinitrodiphenylamine is 429.94 g/mol.
Where can I buy 4'-Iodo-2,4,6-trinitrodiphenylamine?
You can request a quote for 4'-Iodo-2,4,6-trinitrodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Iodo-2,4,6-trinitrodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Iodo-2,4,6-trinitrodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.