m-Xylene, 4,6-dinitro-
TL;DR: m-Xylene, 4,6-dinitro- (CAS 616-72-8) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2,4-dinitrobenzene
Also Known As: 1,5-DIMETHYL-2,4-DINITROBENZENE, 4,6-Dinitro-m-xylene, 4,6-Dinitro-1,3-xylene, m-Xylene, 4,6-dinitro-, 4,3-dimethylbenzene
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 616-72-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | FOWXIRIJHSFCRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Xylene, 4,6-dinitro- (CAS 616-72-8), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 1,5-dimethyl-2,4-dinitrobenzene.
Chemical Property Profile of m-Xylene, 4,6-dinitro-
Property Insights of m-Xylene, 4,6-dinitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Xylene, 4,6-dinitro-. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Xylene, 4,6-dinitro-. Following Lipinski's Rule of Five, m-Xylene, 4,6-dinitro- has 0 hydrogen bond donor(s) and 4 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 m-Xylene, 4,6-dinitro-?
The CAS number of m-Xylene, 4,6-dinitro- is 616-72-8.
What is the molecular formula of m-Xylene, 4,6-dinitro-?
The molecular formula of m-Xylene, 4,6-dinitro- is C8H8N2O4.
What is the molecular weight of m-Xylene, 4,6-dinitro-?
The molecular weight of m-Xylene, 4,6-dinitro- is 196.05 g/mol.
Where can I buy m-Xylene, 4,6-dinitro-?
You can request a quote for m-Xylene, 4,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Xylene, 4,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for m-Xylene, 4,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.