Dinitroisodurene
TL;DR: Dinitroisodurene (CAS 4674-22-0) 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.
1,2,3,5-tetramethyl-4,6-dinitrobenzene
Also Known As: Dinitroisodurene, Dinitrodurene, 1,2,3,5-Tetramethyl-4,6-dinitrobenzene, metadinitrotetramethylbenzene, Tetramethyl-1,3-dinitrobenzene
| 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 | 268.0 |
Chemical Identifiers
| CAS Number | 4674-22-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C)[N+](=O)[O-])C |
| InChIKey | NYUTYKUIBRNYIV-UHFFFAOYSA-N |
Product Overview
Dinitroisodurene (CAS 4674-22-0), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: 1,2,3,5-tetramethyl-4,6-dinitrobenzene.
Chemical Property Profile of Dinitroisodurene
Property Insights of Dinitroisodurene
The XLogP value of 3.0 indicates that Dinitroisodurene 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 Dinitroisodurene. Following Lipinski's Rule of Five, Dinitroisodurene 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 Dinitroisodurene?
The CAS number of Dinitroisodurene is 4674-22-0.
What is the molecular formula of Dinitroisodurene?
The molecular formula of Dinitroisodurene is C10H12N2O4.
What is the molecular weight of Dinitroisodurene?
The molecular weight of Dinitroisodurene is 224.08 g/mol.
Where can I buy Dinitroisodurene?
You can request a quote for Dinitroisodurene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitroisodurene?
Yes, KEHONG BIO provides custom synthesis services for Dinitroisodurene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.