4-Methoxy-3,5-dinitrotoluene
TL;DR: 4-Methoxy-3,5-dinitrotoluene (CAS 29455-11-6) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-methyl-1,3-dinitrobenzene
Also Known As: 4-Methoxy-3,5-dinitrotoluene, 2,6-Dinitro-4-methylanisole, 2-Methoxy-5-methyl-1,3-dinitrobenzene, 26-dinitro-4-methylanisole, Benzene, 2-methoxy-5-methyl-1,3-dinitro-
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 29455-11-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])OC)[N+](=O)[O-] |
| InChIKey | HVNUPXQONRHUOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-3,5-dinitrotoluene (CAS 29455-11-6), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 2-methoxy-5-methyl-1,3-dinitrobenzene.
Chemical Property Profile of 4-Methoxy-3,5-dinitrotoluene
Property Insights of 4-Methoxy-3,5-dinitrotoluene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3,5-dinitrotoluene. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3,5-dinitrotoluene. Following Lipinski's Rule of Five, 4-Methoxy-3,5-dinitrotoluene 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 4-Methoxy-3,5-dinitrotoluene?
The CAS number of 4-Methoxy-3,5-dinitrotoluene is 29455-11-6.
What is the molecular formula of 4-Methoxy-3,5-dinitrotoluene?
The molecular formula of 4-Methoxy-3,5-dinitrotoluene is C8H8N2O5.
What is the molecular weight of 4-Methoxy-3,5-dinitrotoluene?
The molecular weight of 4-Methoxy-3,5-dinitrotoluene is 212.04 g/mol.
Where can I buy 4-Methoxy-3,5-dinitrotoluene?
You can request a quote for 4-Methoxy-3,5-dinitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3,5-dinitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3,5-dinitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.