TL;DR: Pyretrofos (CAS 118413-13-1) is a chemical compound with molecular formula C34H33BrCl4NO7P and molecular weight 816.9932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Pyretrofos, Bromfenvinfos-cypermethrin mixt., Cypermethrin-bromfenvinfos mixt., Bromfenvinfos - cypermethrin mixt., IPO 7005
| Molecular Formula | C34H33BrCl4NO7P |
| Molecular Weight | 816.9932 g/mol |
| XLogP | 12.06238 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 816.9932 Da |
| Heavy Atoms | 48 |
| Complexity | 1010.0 |
| SMILES | CCOP(=O)(OCC)O/C(=C/Br)/C1=C(C=C(C=C1)Cl)Cl.CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
| InChIKey | HPLZVHSDISWRGO-AMEPUADKSA-N |
The XLogP value of 12.06238 indicates that Pyretrofos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyretrofos. Following Lipinski's Rule of Five, Pyretrofos has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyretrofos is 118413-13-1.
The molecular formula of Pyretrofos is C34H33BrCl4NO7P.
The molecular weight of Pyretrofos is 816.9932 g/mol.
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