2,4-Dinitro-5-methylphenol
TL;DR: 2,4-Dinitro-5-methylphenol (CAS 616-73-9) 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.
5-methyl-2,4-dinitrophenol
Also Known As: 3-Methyl-4,6-dinitrophenol, 4,6-Dinitro-m-cresol, 5-Methyl-2,4-dinitro-phenol, 5-methyl-2,4-dinitrophenol, 2,4-DINITRO-5-METHYLPHENOL
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 2.1 |
| 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 | 245.0 |
Chemical Identifiers
| CAS Number | 616-73-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | ZIFGQZOJBWXBNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitro-5-methylphenol (CAS 616-73-9), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 5-methyl-2,4-dinitrophenol.
Chemical Property Profile of 2,4-Dinitro-5-methylphenol
Property Insights of 2,4-Dinitro-5-methylphenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitro-5-methylphenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-5-methylphenol. Following Lipinski's Rule of Five, 2,4-Dinitro-5-methylphenol 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 2,4-Dinitro-5-methylphenol?
The CAS number of 2,4-Dinitro-5-methylphenol is 616-73-9.
What is the molecular formula of 2,4-Dinitro-5-methylphenol?
The molecular formula of 2,4-Dinitro-5-methylphenol is C7H6N2O5.
What is the molecular weight of 2,4-Dinitro-5-methylphenol?
The molecular weight of 2,4-Dinitro-5-methylphenol is 198.03 g/mol.
Where can I buy 2,4-Dinitro-5-methylphenol?
You can request a quote for 2,4-Dinitro-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.