1,3,5-Trinitro-2-(2-phenylethenyl)benzene
TL;DR: 1,3,5-Trinitro-2-(2-phenylethenyl)benzene (CAS 61599-68-6) is a chemical compound with molecular formula C14H9N3O6 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trinitro-2-(2-phenylethenyl)benzene
Also Known As: 2,4,6-trinitrostilbene, 1,3,5-trinitro-2-(2-phenylethenyl)benzene, Benzene,1,3,5-trinitro-2-(2-phenylethenyl)-, Benzene, 1,3,5-trinitro-2-(2-phenylethenyl)-, Benzene, 1,3,5-trinitro-2-[(1E)-2-phenylethenyl]-
| Molecular Formula | C14H9N3O6 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.04913 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 61599-68-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JHMMNVQXKFUCCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Trinitro-2-(2-phenylethenyl)benzene (CAS 61599-68-6), with molecular formula C14H9N3O6 and molecular weight 315.05 g/mol. IUPAC: 1,3,5-trinitro-2-(2-phenylethenyl)benzene.
Chemical Property Profile of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene
Property Insights of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene
The XLogP value of 3.7 indicates that 1,3,5-Trinitro-2-(2-phenylethenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Trinitro-2-(2-phenylethenyl)benzene. Following Lipinski's Rule of Five, 1,3,5-Trinitro-2-(2-phenylethenyl)benzene 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-Trinitro-2-(2-phenylethenyl)benzene?
The CAS number of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene is 61599-68-6.
What is the molecular formula of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene?
The molecular formula of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene is C14H9N3O6.
What is the molecular weight of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene?
The molecular weight of 1,3,5-Trinitro-2-(2-phenylethenyl)benzene is 315.05 g/mol.
Where can I buy 1,3,5-Trinitro-2-(2-phenylethenyl)benzene?
You can request a quote for 1,3,5-Trinitro-2-(2-phenylethenyl)benzene 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-Trinitro-2-(2-phenylethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trinitro-2-(2-phenylethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.