1,3,5-Trimethyl-2,4,6-trinitrobenzene
TL;DR: 1,3,5-Trimethyl-2,4,6-trinitrobenzene (CAS 602-96-0) is a chemical compound with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyl-2,4,6-trinitrobenzene
Also Known As: 2,4,6-Trinitromesitylene, Trinitromesitylene, 1,3,5-Trimethyl-2,4,6-trinitrobenzene, Trinitromesitylen, 2,6-Trinitromesitylene
| Molecular Formula | C9H9N3O6 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.04913 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 602-96-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | YVJCXMCIFPUNDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Trimethyl-2,4,6-trinitrobenzene (CAS 602-96-0), with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol. IUPAC: 1,3,5-trimethyl-2,4,6-trinitrobenzene.
Chemical Property Profile of 1,3,5-Trimethyl-2,4,6-trinitrobenzene
Property Insights of 1,3,5-Trimethyl-2,4,6-trinitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Trimethyl-2,4,6-trinitrobenzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Trimethyl-2,4,6-trinitrobenzene. Following Lipinski's Rule of Five, 1,3,5-Trimethyl-2,4,6-trinitrobenzene has 0 hydrogen bond donor(s) and 6 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 1,3,5-Trimethyl-2,4,6-trinitrobenzene?
The CAS number of 1,3,5-Trimethyl-2,4,6-trinitrobenzene is 602-96-0.
What is the molecular formula of 1,3,5-Trimethyl-2,4,6-trinitrobenzene?
The molecular formula of 1,3,5-Trimethyl-2,4,6-trinitrobenzene is C9H9N3O6.
What is the molecular weight of 1,3,5-Trimethyl-2,4,6-trinitrobenzene?
The molecular weight of 1,3,5-Trimethyl-2,4,6-trinitrobenzene is 255.05 g/mol.
Where can I buy 1,3,5-Trimethyl-2,4,6-trinitrobenzene?
You can request a quote for 1,3,5-Trimethyl-2,4,6-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trimethyl-2,4,6-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trimethyl-2,4,6-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.