beta,3-Dinitrostyrene
TL;DR: beta,3-Dinitrostyrene (CAS 882-26-8) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(2-nitroethenyl)benzene
Also Known As: beta,3-Dinitrostyrene, Maybridge1_007274, 1-nitro-3-(2-nitrovinyl)benzene, 1-Nitro-3-[2-nitrovinyl]benzene, 1-nitro-3-(2-nitroethenyl)benzene
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 882-26-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C[N+](=O)[O-] |
| InChIKey | YOEGXQQUPVDQEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta,3-Dinitrostyrene (CAS 882-26-8), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 1-nitro-3-(2-nitroethenyl)benzene.
Chemical Property Profile of beta,3-Dinitrostyrene
Property Insights of beta,3-Dinitrostyrene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta,3-Dinitrostyrene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for beta,3-Dinitrostyrene. Following Lipinski's Rule of Five, beta,3-Dinitrostyrene 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 beta,3-Dinitrostyrene?
The CAS number of beta,3-Dinitrostyrene is 882-26-8.
What is the molecular formula of beta,3-Dinitrostyrene?
The molecular formula of beta,3-Dinitrostyrene is C8H6N2O4.
What is the molecular weight of beta,3-Dinitrostyrene?
The molecular weight of beta,3-Dinitrostyrene is 194.03 g/mol.
Where can I buy beta,3-Dinitrostyrene?
You can request a quote for beta,3-Dinitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta,3-Dinitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for beta,3-Dinitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.