氰戊菊酯
TL;DR: 氰戊菊酯 (CAS 51630-58-1) is a chemical compound with molecular formula C25H22ClNO3 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰戊菊酯
[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
Also Known As: fenvalerate, Phenvalerate, Pydrin, Sumicidin, Belmark
| Molecular Formula | C25H22ClNO3 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.1288 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
| Melting Point | 39.5 - 53.7 °C |
| Boiling Point | Decomposes |
| Density | 1.17 at 23 °C |
| Solubility | Solubility at 20 °C (g/L): acetone >450; chloroform >450; methanol >450; hexane 77 |
| Vapor Pressure | 1.5X10-9 mm Hg at 25 °C |
| Refractive Index | 1.5533 at 20 °C |
Chemical Identifiers
| CAS Number | 51630-58-1 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | NYPJDWWKZLNGGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰戊菊酯 (CAS 51630-58-1), with molecular formula C25H22ClNO3 and molecular weight 419.13 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of 氰戊菊酯
Property Insights of 氰戊菊酯
The XLogP value of 6.2 indicates that 氰戊菊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 氰戊菊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氰戊菊酯 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 氰戊菊酯?
The CAS number of 氰戊菊酯 is 51630-58-1.
What is the molecular formula of 氰戊菊酯?
The molecular formula of 氰戊菊酯 is C25H22ClNO3.
What is the molecular weight of 氰戊菊酯?
The molecular weight of 氰戊菊酯 is 419.13 g/mol.
Where can I buy 氰戊菊酯?
You can request a quote for 氰戊菊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰戊菊酯?
Yes, KEHONG BIO provides custom synthesis services for 氰戊菊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.