Acrinathrin
TL;DR: Acrinathrin (CAS 101007-06-1) is a chemical compound with molecular formula C26H21F6NO5 and molecular weight 541.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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
| Molecular Formula | C26H21F6NO5 |
|---|---|
| Molecular Weight | 541.13 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.1324 |
| Heavy Atoms | 38 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 101007-06-1 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acrinathrin (CAS 101007-06-1), with molecular formula C26H21F6NO5 and molecular weight 541.13 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Acrinathrin
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
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 541.13 g/mol.
Where can I buy Acrinathrin?
You can request a quote for Acrinathrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrinathrin?
Yes, KEHONG BIO provides custom synthesis services for Acrinathrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.