2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol
TL;DR: 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol (CAS 60504-11-2) is a chemical compound with molecular formula C20H24N4O7 and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(2,4,6-trinitroanilino)phenol
Also Known As: 2,6-ditert-butyl-4-(2,4,6-trinitroanilino)phenol, 2,6-DI-TERT-BUTYL-4-(2,4,6-TRINITRO-PHENYLAMINO)-PHENOL, 2,6-Ditert-butyl-4-(2,4,6-tris(hydroxy(oxido)amino)anilino)phenol, N-(3,5-di-t-butyl-4-hydroxyphenyl)-2,4,6-trinitrophenyl-amine, 684-651-1
| Molecular Formula | C20H24N4O7 |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 5.4554 |
| Topological Polar Surface Area | 161.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1645 |
| Heavy Atoms | 31 |
| Complexity | 1011.9018 |
Chemical Identifiers
| CAS Number | 60504-11-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol (CAS 60504-11-2), with molecular formula C20H24N4O7 and molecular weight 432.16 g/mol. IUPAC: 2,6-ditert-butyl-4-(2,4,6-trinitroanilino)phenol.
Chemical Property Profile of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol
Property Insights of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol
The XLogP value of 5.4554 indicates that 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.68 Ų indicates high polarity, suggesting 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol?
The CAS number of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol is 60504-11-2.
What is the molecular formula of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol?
The molecular formula of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol is C20H24N4O7.
What is the molecular weight of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol?
The molecular weight of 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol is 432.16 g/mol.
Where can I buy 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol?
You can request a quote for 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-DI-Tert-butyl-4-(2,4,6-trinitro-phenylamino)-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.