1,3,5-Tripicrylbenzene
TL;DR: 1,3,5-Tripicrylbenzene (CAS 58505-78-5) is a chemical compound with molecular formula C24H9N9O18 and molecular weight 711.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene
Also Known As: 1,3,5-Tripicrylbenzene, 2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene, 1~2~,1~4~,1~6~,3~2~,3~4~,3~6~-Hexanitro-2~5~-(2,4,6-trinitrophenyl)-1~1~,2~1~:2~3~,3~1~-terphenyl
| Molecular Formula | C24H9N9O18 |
|---|---|
| Molecular Weight | 711.01 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 412.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 3 |
| Exact Mass | 711.00653 |
| Heavy Atoms | 51 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 58505-78-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XRORFQKOIIMHEE-UHFFFAOYSA-N |
Product Overview
1,3,5-Tripicrylbenzene (CAS 58505-78-5), with molecular formula C24H9N9O18 and molecular weight 711.01 g/mol. IUPAC: 2-[3,5-bis(2,4,6-trinitrophenyl)phenyl]-1,3,5-trinitrobenzene.
Chemical Property Profile of 1,3,5-Tripicrylbenzene
Property Insights of 1,3,5-Tripicrylbenzene
The XLogP value of 5.3 indicates that 1,3,5-Tripicrylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 412.0 Ų indicates high polarity, suggesting 1,3,5-Tripicrylbenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-Tripicrylbenzene has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tripicrylbenzene?
The CAS number of 1,3,5-Tripicrylbenzene is 58505-78-5.
What is the molecular formula of 1,3,5-Tripicrylbenzene?
The molecular formula of 1,3,5-Tripicrylbenzene is C24H9N9O18.
What is the molecular weight of 1,3,5-Tripicrylbenzene?
The molecular weight of 1,3,5-Tripicrylbenzene is 711.01 g/mol.
Where can I buy 1,3,5-Tripicrylbenzene?
You can request a quote for 1,3,5-Tripicrylbenzene 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-Tripicrylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tripicrylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.