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Acrinathrin structure
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Acrinathrin

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

CAS Number
101007-06-1
Molecular Formula
C26H21F6NO5
Molecular Weight
541.1324 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (4 patents) Heterocyclic Building Blocks (3 patents) Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC26H21F6NO5
Molecular Weight541.1324 g/mol
XLogP6.8
Topological Polar Surface Area (TPSA)85.6 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors12
Rotatable Bonds10
Exact Mass541.1324 Da
Heavy Atoms38
Complexity917.0
SMILESCC1(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
InChIKeyYLFSVIMMRPNPFK-UHFFFAOYSA-N

Chemical Property Profile of Acrinathrin

XLogP
6.8
TPSA (Topological Polar Surface Area)
85.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
12
Rotatable Bonds
10
Heavy Atoms
38
Complexity
917.0
Exact Mass
541.1324
Monoisotopic Mass
541.1324
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Acrinathrin

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.

Frequently Asked Questions

What is the CAS number of Acrinathrin?

The CAS number of Acrinathrin is 101007-06-1.

What is the molecular formula of Acrinathrin?

The molecular formula of Acrinathrin is C26H21F6NO5.

What is the molecular weight of Acrinathrin?

The molecular weight of Acrinathrin is 541.1324 g/mol.

Where can I buy Acrinathrin?

You can request a quote for Acrinathrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Acrinathrin?

Yes, CoreyChem provides custom synthesis services for Acrinathrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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