![2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene structure](/static/products/6159/61599-70-0.webp)
2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
TL;DR: 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene (CAS 61599-70-0) is a chemical compound with molecular formula C14H8ClN3O6 and molecular weight 349.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
Also Known As: trans-4'-chloro-2,4,6-trinitrostilbene, 2-[2-(4-chlorophenyl)ethenyl]-1,3,5-trinitrobenzene, 2-[2-(4-chlorophenyl)ethenyl]-1,3,5-trinitro-benzene, 2-[2-(4-Chlorophenyl)ethen-1-yl]-1,3,5-trinitrobenzene, Benzene, 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3,5-trinitro-
| Molecular Formula | C14H8ClN3O6 |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | 4.235 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.01016 |
| Heavy Atoms | 24 |
| Complexity | 828.30865 |
Chemical Identifiers
| CAS Number | 61599-70-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene (CAS 61599-70-0), with molecular formula C14H8ClN3O6 and molecular weight 349.01 g/mol. IUPAC: 2-[2-(4-chlorophenyl)ethenyl]-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
Property Insights of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
The XLogP value of 4.235 indicates that 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-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 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene?
The CAS number of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene is 61599-70-0.
What is the molecular formula of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene?
The molecular formula of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene is C14H8ClN3O6.
What is the molecular weight of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene?
The molecular weight of 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene is 349.01 g/mol.
Where can I buy 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene?
You can request a quote for 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.