2-Ethyl-1,3-dinitrobenzene
TL;DR: 2-Ethyl-1,3-dinitrobenzene (CAS 13985-56-3) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3-dinitrobenzene
Also Known As: 2-Ethyl-1,3-dinitrobenzene, ethyl 1,3-dinitrobenzene, Benzene, 2-ethyl-1,3-dinitro-, 2,6-DINITROETHYLBENZENE, 1-Ethyl-2,6-dinitrobenzene
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 13985-56-3 |
|---|---|
| SMILES | CCC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SWASTJCUMFALOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1,3-dinitrobenzene (CAS 13985-56-3), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 2-ethyl-1,3-dinitrobenzene.
Chemical Property Profile of 2-Ethyl-1,3-dinitrobenzene
Property Insights of 2-Ethyl-1,3-dinitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3-dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-1,3-dinitrobenzene. Following Lipinski's Rule of Five, 2-Ethyl-1,3-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 2-Ethyl-1,3-dinitrobenzene?
The CAS number of 2-Ethyl-1,3-dinitrobenzene is 13985-56-3.
What is the molecular formula of 2-Ethyl-1,3-dinitrobenzene?
The molecular formula of 2-Ethyl-1,3-dinitrobenzene is C8H8N2O4.
What is the molecular weight of 2-Ethyl-1,3-dinitrobenzene?
The molecular weight of 2-Ethyl-1,3-dinitrobenzene is 196.05 g/mol.
Where can I buy 2-Ethyl-1,3-dinitrobenzene?
You can request a quote for 2-Ethyl-1,3-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1,3-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,3-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.