四溴菊酯
TL;DR: 四溴菊酯 (CAS 66841-25-6) is a chemical compound with molecular formula C22H19Br4NO3 and molecular weight 660.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四溴菊酯
cis-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropane-1-carboxylate
Also Known As: TRALOMETHRIN, Tralomethrine, Scout, Tracker, Scout X-tra
| Molecular Formula | C22H19Br4NO3 |
|---|---|
| Molecular Weight | 660.81 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 664.8057 |
| Heavy Atoms | 30 |
| Complexity | 665.0 |
| Melting Point | 138-148 °C |
| Density | 1.70 at 20 °C |
| Solubility | In water, 0.8 mg/L |
| Flash Point | 26 °C |
| Vapor Pressure | 3.6X10-11 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 66841-25-6 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(C(Br)(Br)Br)Br)C |
| InChIKey | YWSCPYYRJXKUDB-KAKFPZCNSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四溴菊酯 (CAS 66841-25-6), with molecular formula C22H19Br4NO3 and molecular weight 660.81 g/mol. IUPAC: cis-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropane-1-carboxylate.
Chemical Property Profile of 四溴菊酯
Property Insights of 四溴菊酯
The XLogP value of 8.0 indicates that 四溴菊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 四溴菊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四溴菊酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 四溴菊酯?
The CAS number of 四溴菊酯 is 66841-25-6.
What is the molecular formula of 四溴菊酯?
The molecular formula of 四溴菊酯 is C22H19Br4NO3.
What is the molecular weight of 四溴菊酯?
The molecular weight of 四溴菊酯 is 660.81 g/mol.
Where can I buy 四溴菊酯?
You can request a quote for 四溴菊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四溴菊酯?
Yes, KEHONG BIO provides custom synthesis services for 四溴菊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.