2,6-Dinitro-p-cresol
TL;DR: 2,6-Dinitro-p-cresol (CAS 609-93-8) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2,6-dinitrophenol
Also Known As: 2,6-Dinitro-p-cresol, Victoria Orange, Victoria Yellow, Dinitro-p-cresol, 4-METHYL-2,6-DINITROPHENOL
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| Melting Point | 85 °C |
| Solubility | Insoluble in water |
| Vapor Pressure | 0.00000548 [mmHg] |
Chemical Identifiers
| CAS Number | 609-93-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | HOYRZHJJAHRMLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dinitro-p-cresol (CAS 609-93-8), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 4-methyl-2,6-dinitrophenol.
Chemical Property Profile of 2,6-Dinitro-p-cresol
Property Insights of 2,6-Dinitro-p-cresol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitro-p-cresol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitro-p-cresol. Following Lipinski's Rule of Five, 2,6-Dinitro-p-cresol 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 2,6-Dinitro-p-cresol?
The CAS number of 2,6-Dinitro-p-cresol is 609-93-8.
What is the molecular formula of 2,6-Dinitro-p-cresol?
The molecular formula of 2,6-Dinitro-p-cresol is C7H6N2O5.
What is the molecular weight of 2,6-Dinitro-p-cresol?
The molecular weight of 2,6-Dinitro-p-cresol is 198.03 g/mol.
Where can I buy 2,6-Dinitro-p-cresol?
You can request a quote for 2,6-Dinitro-p-cresol 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-p-cresol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.