1,2,3,4-Tetramethyl-5,6-dinitro-benzene
TL;DR: 1,2,3,4-Tetramethyl-5,6-dinitro-benzene (CAS 18801-63-3) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetramethyl-5,6-dinitrobenzene
Also Known As: 1,2,3,4-tetramethyl-5,6-dinitrobenzene, Dinitroprehnitene, o-dinitrotetramethylbenzene, 1,2-dinitro-3,4,5,6-tetramethylbenzene, Benzene,1,2,3,4-tetramethyl-5,6-dinitro-
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 18801-63-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)[N+](=O)[O-])[N+](=O)[O-])C)C |
| InChIKey | OVFWWDRGWIAOIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetramethyl-5,6-dinitro-benzene (CAS 18801-63-3), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: 1,2,3,4-tetramethyl-5,6-dinitrobenzene.
Chemical Property Profile of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene
Property Insights of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene
The XLogP value of 3.0 indicates that 1,2,3,4-Tetramethyl-5,6-dinitro-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetramethyl-5,6-dinitro-benzene. Following Lipinski's Rule of Five, 1,2,3,4-Tetramethyl-5,6-dinitro-benzene 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 1,2,3,4-Tetramethyl-5,6-dinitro-benzene?
The CAS number of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene is 18801-63-3.
What is the molecular formula of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene?
The molecular formula of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene is C10H12N2O4.
What is the molecular weight of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene?
The molecular weight of 1,2,3,4-Tetramethyl-5,6-dinitro-benzene is 224.08 g/mol.
Where can I buy 1,2,3,4-Tetramethyl-5,6-dinitro-benzene?
You can request a quote for 1,2,3,4-Tetramethyl-5,6-dinitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetramethyl-5,6-dinitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetramethyl-5,6-dinitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.