1,3-Dimethyl-2,4-dinitrobenzene
TL;DR: 1,3-Dimethyl-2,4-dinitrobenzene (CAS 603-02-1) 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.
1,3-dimethyl-2,4-dinitrobenzene
Also Known As: 2,4-Dinitro-m-xylene, 1,3-Dimethyl-2,4-dinitrobenzene, m-Xylene, 2,4-dinitro-, 2,6-dinitro-m-xylene, Lidocaine Impurity 14
| 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 | 245.0 |
Chemical Identifiers
| CAS Number | 603-02-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | XUUSVHGZGPBZLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-2,4-dinitrobenzene (CAS 603-02-1), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 1,3-dimethyl-2,4-dinitrobenzene.
Chemical Property Profile of 1,3-Dimethyl-2,4-dinitrobenzene
Property Insights of 1,3-Dimethyl-2,4-dinitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-2,4-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1,3-Dimethyl-2,4-dinitrobenzene 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 1,3-Dimethyl-2,4-dinitrobenzene?
The CAS number of 1,3-Dimethyl-2,4-dinitrobenzene is 603-02-1.
What is the molecular formula of 1,3-Dimethyl-2,4-dinitrobenzene?
The molecular formula of 1,3-Dimethyl-2,4-dinitrobenzene is C8H8N2O4.
What is the molecular weight of 1,3-Dimethyl-2,4-dinitrobenzene?
The molecular weight of 1,3-Dimethyl-2,4-dinitrobenzene is 196.05 g/mol.
Where can I buy 1,3-Dimethyl-2,4-dinitrobenzene?
You can request a quote for 1,3-Dimethyl-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.