2,6-Dinitrophenyl methyl ether
TL;DR: 2,6-Dinitrophenyl methyl ether (CAS 3535-67-9) 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.
2-methoxy-1,3-dinitrobenzene
Also Known As: 2-methoxy-1,3-dinitrobenzene, 2,6-DINITROANISOLE, 2,6-Dinitrophenyl methyl ether, 2,6-dinitroanisol, Anisole, 2,6-dinitro-
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 3535-67-9 |
|---|---|
| SMILES | COC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DZVZPFZSAYLSDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dinitrophenyl methyl ether (CAS 3535-67-9), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 2-methoxy-1,3-dinitrobenzene.
Chemical Property Profile of 2,6-Dinitrophenyl methyl ether
Property Insights of 2,6-Dinitrophenyl methyl ether
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitrophenyl methyl ether. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitrophenyl methyl ether. Following Lipinski's Rule of Five, 2,6-Dinitrophenyl methyl ether has 0 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-Dinitrophenyl methyl ether?
The CAS number of 2,6-Dinitrophenyl methyl ether is 3535-67-9.
What is the molecular formula of 2,6-Dinitrophenyl methyl ether?
The molecular formula of 2,6-Dinitrophenyl methyl ether is C7H6N2O5.
What is the molecular weight of 2,6-Dinitrophenyl methyl ether?
The molecular weight of 2,6-Dinitrophenyl methyl ether is 198.03 g/mol.
Where can I buy 2,6-Dinitrophenyl methyl ether?
You can request a quote for 2,6-Dinitrophenyl methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitrophenyl methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitrophenyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.