2,6-Dinitro-4-(4-nitrophenyl)phenol
TL;DR: 2,6-Dinitro-4-(4-nitrophenyl)phenol (CAS 13720-37-1) is a chemical compound with molecular formula C12H7N3O7 and molecular weight 305.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-4-(4-nitrophenyl)phenol
Also Known As: 2,6-dinitro-4-(4-nitrophenyl)phenol, 3,4',5-trinitrobiphenyl-4-ol, 3,5,4'-Trinitro-biphenyl-4-ol, 3,5,4'-trinitro-4-hydroxy-biphenyl, [1,1'-biphenyl]-4-ol, 3,4',5-trinitro-
| Molecular Formula | C12H7N3O7 |
|---|---|
| Molecular Weight | 305.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.0284 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 13720-37-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FHTDWPRNGLZIRR-UHFFFAOYSA-N |
Product Overview
2,6-Dinitro-4-(4-nitrophenyl)phenol (CAS 13720-37-1), with molecular formula C12H7N3O7 and molecular weight 305.03 g/mol. IUPAC: 2,6-dinitro-4-(4-nitrophenyl)phenol.
Chemical Property Profile of 2,6-Dinitro-4-(4-nitrophenyl)phenol
Property Insights of 2,6-Dinitro-4-(4-nitrophenyl)phenol
The XLogP value of 3.2 indicates that 2,6-Dinitro-4-(4-nitrophenyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,6-Dinitro-4-(4-nitrophenyl)phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Dinitro-4-(4-nitrophenyl)phenol 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 2,6-Dinitro-4-(4-nitrophenyl)phenol?
The CAS number of 2,6-Dinitro-4-(4-nitrophenyl)phenol is 13720-37-1.
What is the molecular formula of 2,6-Dinitro-4-(4-nitrophenyl)phenol?
The molecular formula of 2,6-Dinitro-4-(4-nitrophenyl)phenol is C12H7N3O7.
What is the molecular weight of 2,6-Dinitro-4-(4-nitrophenyl)phenol?
The molecular weight of 2,6-Dinitro-4-(4-nitrophenyl)phenol is 305.03 g/mol.
Where can I buy 2,6-Dinitro-4-(4-nitrophenyl)phenol?
You can request a quote for 2,6-Dinitro-4-(4-nitrophenyl)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-Dinitro-4-(4-nitrophenyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-(4-nitrophenyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.