TL;DR: Acrinathrin (CAS 101007-06-1) is a chemical compound with molecular formula C26H21F6NO5 and molecular weight 541.1324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Acrinathrin, Acrinathrin [ISO], Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propenyl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-, [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate, (S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-((Z)-3-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H21F6NO5 |
| Molecular Weight | 541.1324 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.1324 Da |
| Heavy Atoms | 38 |
| Complexity | 917.0 |
| SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C |
| InChIKey | YLFSVIMMRPNPFK-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that Acrinathrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acrinathrin. Following Lipinski's Rule of Five, Acrinathrin has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acrinathrin is 101007-06-1.
The molecular formula of Acrinathrin is C26H21F6NO5.
The molecular weight of Acrinathrin is 541.1324 g/mol.
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