2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)
TL;DR: 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) (CAS 82950-75-2) is a chemical compound with molecular formula C23H17N3O7 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenylcyclopenta-1,3-dien-1-yl)benzene;2,4,6-trinitrophenol
Also Known As: 2,4,6-trinitrophenol- 1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1), (4-phenylcyclopenta-1,3-dien-1-yl)benzene,2,4,6-trinitrophen, (4-phenylcyclopenta-1,3-dien-1-yl)benzene; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1), 2,4,6-Trinitrophenol--1,1'-(cyclopenta-3,5-diene-1,3-diyl)dibenzene (1/1)
| Molecular Formula | C23H17N3O7 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 5.6741 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.10666 |
| Heavy Atoms | 33 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 82950-75-2 |
|---|---|
| SMILES | C1C(=CC=C1C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XTNLFPYGLVOUSU-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) (CAS 82950-75-2), with molecular formula C23H17N3O7 and molecular weight 447.11 g/mol. IUPAC: (4-phenylcyclopenta-1,3-dien-1-yl)benzene;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)
Property Insights of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)
The XLogP value of 5.6741 indicates that 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)?
The CAS number of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) is 82950-75-2.
What is the molecular formula of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)?
The molecular formula of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) is C23H17N3O7.
What is the molecular weight of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)?
The molecular weight of 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) is 447.11 g/mol.
Where can I buy 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)?
You can request a quote for 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol-1,1'-cyclopenta-3,5-diene-1,3-diyldibenzene(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.