Benzene, 1-methoxy-5-methyl-2,4-dinitro-
TL;DR: Benzene, 1-methoxy-5-methyl-2,4-dinitro- (CAS 3606-21-1) 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.
1-methoxy-5-methyl-2,4-dinitrobenzene
Also Known As: 5-Methyl-2,4-dinitroanisole, 4,6-Dinitro-3-methoxytoluene, Anisole,4-dinitro-, Benzene,4-dinitro-, 1-methoxy-5-methyl-2,4-dinitrobenzene
| 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 | 259.0 |
Chemical Identifiers
| CAS Number | 3606-21-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | XLPFUGPSJUAQSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-5-methyl-2,4-dinitro- (CAS 3606-21-1), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 1-methoxy-5-methyl-2,4-dinitrobenzene.
Chemical Property Profile of Benzene, 1-methoxy-5-methyl-2,4-dinitro-
Property Insights of Benzene, 1-methoxy-5-methyl-2,4-dinitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methoxy-5-methyl-2,4-dinitro-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-methoxy-5-methyl-2,4-dinitro-. Following Lipinski's Rule of Five, Benzene, 1-methoxy-5-methyl-2,4-dinitro- 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 Benzene, 1-methoxy-5-methyl-2,4-dinitro-?
The CAS number of Benzene, 1-methoxy-5-methyl-2,4-dinitro- is 3606-21-1.
What is the molecular formula of Benzene, 1-methoxy-5-methyl-2,4-dinitro-?
The molecular formula of Benzene, 1-methoxy-5-methyl-2,4-dinitro- is C8H8N2O5.
What is the molecular weight of Benzene, 1-methoxy-5-methyl-2,4-dinitro-?
The molecular weight of Benzene, 1-methoxy-5-methyl-2,4-dinitro- is 212.04 g/mol.
Where can I buy Benzene, 1-methoxy-5-methyl-2,4-dinitro-?
You can request a quote for Benzene, 1-methoxy-5-methyl-2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methoxy-5-methyl-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-5-methyl-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.