3,5-Dinitrophenol
TL;DR: 3,5-Dinitrophenol (CAS 586-11-8) is a chemical compound with molecular formula C6H4N2O5 and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitrophenol
Also Known As: 3,5-DINITROPHENOL, Phenol, 3,5-dinitro-, 3,5-Dinitrofenol, theta-Dinitrophenol, Bromoterephthalic acid
| Molecular Formula | C6H4N2O5 |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.01202 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 586-11-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | UEMBNLWZFIWQFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitrophenol (CAS 586-11-8), with molecular formula C6H4N2O5 and molecular weight 184.01 g/mol. IUPAC: 3,5-dinitrophenol.
Chemical Property Profile of 3,5-Dinitrophenol
Property Insights of 3,5-Dinitrophenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrophenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitrophenol. Following Lipinski's Rule of Five, 3,5-Dinitrophenol has 1 hydrogen bond donor(s) and 5 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 3,5-Dinitrophenol?
The CAS number of 3,5-Dinitrophenol is 586-11-8.
What is the molecular formula of 3,5-Dinitrophenol?
The molecular formula of 3,5-Dinitrophenol is C6H4N2O5.
What is the molecular weight of 3,5-Dinitrophenol?
The molecular weight of 3,5-Dinitrophenol is 184.01 g/mol.
Where can I buy 3,5-Dinitrophenol?
You can request a quote for 3,5-Dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.