1,2,5-Trimethyl-3,4-dinitrobenzene
TL;DR: 1,2,5-Trimethyl-3,4-dinitrobenzene (CAS 71261-13-7) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5-trimethyl-3,4-dinitrobenzene
Also Known As: 1,2,5-trimethyl-3,4-dinitrobenzene, 3,4-Dinitro-2,5,6-trimethyl benzene, W-2979
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 71261-13-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | QKPVCVOSLXWZPB-UHFFFAOYSA-N |
Product Overview
1,2,5-Trimethyl-3,4-dinitrobenzene (CAS 71261-13-7), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 1,2,5-trimethyl-3,4-dinitrobenzene.
Chemical Property Profile of 1,2,5-Trimethyl-3,4-dinitrobenzene
Property Insights of 1,2,5-Trimethyl-3,4-dinitrobenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Trimethyl-3,4-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,5-Trimethyl-3,4-dinitrobenzene. Following Lipinski's Rule of Five, 1,2,5-Trimethyl-3,4-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 1,2,5-Trimethyl-3,4-dinitrobenzene?
The CAS number of 1,2,5-Trimethyl-3,4-dinitrobenzene is 71261-13-7.
What is the molecular formula of 1,2,5-Trimethyl-3,4-dinitrobenzene?
The molecular formula of 1,2,5-Trimethyl-3,4-dinitrobenzene is C9H10N2O4.
What is the molecular weight of 1,2,5-Trimethyl-3,4-dinitrobenzene?
The molecular weight of 1,2,5-Trimethyl-3,4-dinitrobenzene is 210.06 g/mol.
Where can I buy 1,2,5-Trimethyl-3,4-dinitrobenzene?
You can request a quote for 1,2,5-Trimethyl-3,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-Trimethyl-3,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-Trimethyl-3,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.