TL;DR: 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2 (CAS 157033-41-5) is a chemical compound with molecular formula C6H3Cl5N5O5P3 and molecular weight 492.77896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Also Known As: 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2, 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-2,2,4,4,6,6-hexahydro-, 2,4-dinitro-1-(2,4,4,6,6-pentachloro(1,3,5,2,4,6-triazatriphosphin-2-yloxy))be nzene, 2,2,4,4,6-Pentachloro-6-(2,4-dinitrophenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine
| Molecular Formula | C6H3Cl5N5O5P3 |
| Molecular Weight | 492.77896 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 492.77896 Da |
| Heavy Atoms | 24 |
| Complexity | 691.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)Cl |
| InChIKey | VAHOXWSQJSJMGT-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2. Following Lipinski's Rule of Five, 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2 is 157033-41-5.
The molecular formula of 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2 is C6H3Cl5N5O5P3.
The molecular weight of 2,2,4,4,6-pentachloro-6-(2,4-dinitrophenoxy)-1,3,5-triaza-2 is 492.77896 g/mol.
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