1,4-Dimethyl-2,3,5-trinitrobenzene
TL;DR: 1,4-Dimethyl-2,3,5-trinitrobenzene (CAS 602-27-7) is a chemical compound with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-2,3,5-trinitrobenzene
Also Known As: 1,4-dimethyl-2,3,5-trinitrobenzene, 2.3.5-Trinitro-p-xylol, 2,3,6-Trinitro-p-xylene, 1,4-Dimethyl-2,3,6-trinitrobenzene, 1,4-dimethyl-2,3,5-trinitro-benzene
| Molecular Formula | C8H7N3O6 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.03348 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 602-27-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | ZKPLTLWJBLZUSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethyl-2,3,5-trinitrobenzene (CAS 602-27-7), with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol. IUPAC: 1,4-dimethyl-2,3,5-trinitrobenzene.
Chemical Property Profile of 1,4-Dimethyl-2,3,5-trinitrobenzene
Property Insights of 1,4-Dimethyl-2,3,5-trinitrobenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-2,3,5-trinitrobenzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-2,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 1,4-Dimethyl-2,3,5-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 1,4-Dimethyl-2,3,5-trinitrobenzene?
The CAS number of 1,4-Dimethyl-2,3,5-trinitrobenzene is 602-27-7.
What is the molecular formula of 1,4-Dimethyl-2,3,5-trinitrobenzene?
The molecular formula of 1,4-Dimethyl-2,3,5-trinitrobenzene is C8H7N3O6.
What is the molecular weight of 1,4-Dimethyl-2,3,5-trinitrobenzene?
The molecular weight of 1,4-Dimethyl-2,3,5-trinitrobenzene is 241.03 g/mol.
Where can I buy 1,4-Dimethyl-2,3,5-trinitrobenzene?
You can request a quote for 1,4-Dimethyl-2,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-2,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-2,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.