Phenol, 2-methoxy-4,5-dinitro-
TL;DR: Phenol, 2-methoxy-4,5-dinitro- (CAS 116146-05-5) is a chemical compound with molecular formula C7H6N2O6 and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4,5-dinitrophenol
Also Known As: 4,5-Dinitroguaiacol, 2-methoxy-4,5-dinitrophenol, Phenol, 2-methoxy-4,5-dinitro-, Phenol,2-methoxy-4,5-dinitro-, 4,5-dinitro-2-methoxyphenol
| Molecular Formula | C7H6N2O6 |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.02258 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 116146-05-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | FFOSGJSASFGRSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-methoxy-4,5-dinitro- (CAS 116146-05-5), with molecular formula C7H6N2O6 and molecular weight 214.02 g/mol. IUPAC: 2-methoxy-4,5-dinitrophenol.
Chemical Property Profile of Phenol, 2-methoxy-4,5-dinitro-
Property Insights of Phenol, 2-methoxy-4,5-dinitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-methoxy-4,5-dinitro-. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-methoxy-4,5-dinitro-. Following Lipinski's Rule of Five, Phenol, 2-methoxy-4,5-dinitro- has 1 hydrogen bond donor(s) and 6 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 Phenol, 2-methoxy-4,5-dinitro-?
The CAS number of Phenol, 2-methoxy-4,5-dinitro- is 116146-05-5.
What is the molecular formula of Phenol, 2-methoxy-4,5-dinitro-?
The molecular formula of Phenol, 2-methoxy-4,5-dinitro- is C7H6N2O6.
What is the molecular weight of Phenol, 2-methoxy-4,5-dinitro-?
The molecular weight of Phenol, 2-methoxy-4,5-dinitro- is 214.02 g/mol.
Where can I buy Phenol, 2-methoxy-4,5-dinitro-?
You can request a quote for Phenol, 2-methoxy-4,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-methoxy-4,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-methoxy-4,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.