2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine
TL;DR: 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine (CAS 59543-68-9) is a chemical compound with molecular formula C22H7N11O18 and molecular weight 713.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine
Also Known As: 2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine
| Molecular Formula | C22H7N11O18 |
|---|---|
| Molecular Weight | 713.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 438.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 3 |
| Exact Mass | 712.9971 |
| Heavy Atoms | 51 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 59543-68-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C2=CC(=NC(=N2)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-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LAYBYPQKRIMOJJ-UHFFFAOYSA-N |
Product Overview
2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine (CAS 59543-68-9), with molecular formula C22H7N11O18 and molecular weight 713.00 g/mol. IUPAC: 2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine.
Chemical Property Profile of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine
Property Insights of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine
The XLogP value of 3.6 indicates that 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 438.0 Ų indicates high polarity, suggesting 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine has 0 hydrogen bond donor(s) and 20 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-Tris(2,4,6-trinitrophenyl)pyrimidine?
The CAS number of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine is 59543-68-9.
What is the molecular formula of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine?
The molecular formula of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine is C22H7N11O18.
What is the molecular weight of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine?
The molecular weight of 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine is 713.00 g/mol.
Where can I buy 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine?
You can request a quote for 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine 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-Tris(2,4,6-trinitrophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tris(2,4,6-trinitrophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.