4-Methyl-2-(2,4,6-trinitroanilino)phenol
TL;DR: 4-Methyl-2-(2,4,6-trinitroanilino)phenol (CAS 74716-60-2) is a chemical compound with molecular formula C13H10N4O7 and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(2,4,6-trinitroanilino)phenol
Also Known As: 4-methyl-2-(2,4,6-trinitroanilino)phenol, n-(2-hydroxy-5-methylphenyl)picrylamine, 4-methyl-2-[(2,4,6-trinitrophenyl)amino]phenol
| Molecular Formula | C13H10N4O7 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.16882 |
| Topological Polar Surface Area | 161.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.05496 |
| Heavy Atoms | 24 |
| Complexity | 830.389 |
Chemical Identifiers
| CAS Number | 74716-60-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Methyl-2-(2,4,6-trinitroanilino)phenol (CAS 74716-60-2), with molecular formula C13H10N4O7 and molecular weight 334.05 g/mol. IUPAC: 4-methyl-2-(2,4,6-trinitroanilino)phenol.
Chemical Property Profile of 4-Methyl-2-(2,4,6-trinitroanilino)phenol
Property Insights of 4-Methyl-2-(2,4,6-trinitroanilino)phenol
The XLogP value of 3.16882 indicates that 4-Methyl-2-(2,4,6-trinitroanilino)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.68 Ų indicates high polarity, suggesting 4-Methyl-2-(2,4,6-trinitroanilino)phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methyl-2-(2,4,6-trinitroanilino)phenol has 2 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 4-Methyl-2-(2,4,6-trinitroanilino)phenol?
The CAS number of 4-Methyl-2-(2,4,6-trinitroanilino)phenol is 74716-60-2.
What is the molecular formula of 4-Methyl-2-(2,4,6-trinitroanilino)phenol?
The molecular formula of 4-Methyl-2-(2,4,6-trinitroanilino)phenol is C13H10N4O7.
What is the molecular weight of 4-Methyl-2-(2,4,6-trinitroanilino)phenol?
The molecular weight of 4-Methyl-2-(2,4,6-trinitroanilino)phenol is 334.05 g/mol.
Where can I buy 4-Methyl-2-(2,4,6-trinitroanilino)phenol?
You can request a quote for 4-Methyl-2-(2,4,6-trinitroanilino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-(2,4,6-trinitroanilino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(2,4,6-trinitroanilino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.