益避寧
TL;DR: 益避寧 (CAS 54406-48-3) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
益避寧
4-methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Empenthrin, Vaporthrin, d-Empenthrin, 1-Ethynyl-2-methyl-2-pentenyl chrysanthemate, 1-Ethinyl-2-methyl-2-penten-1-yl chrysanthemate
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 54406-48-3 |
|---|---|
| SMILES | CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C |
| InChIKey | YUGWDVYLFSETPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
益避寧 (CAS 54406-48-3), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: 4-methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of 益避寧
Property Insights of 益避寧
The XLogP value of 5.0 indicates that 益避寧 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 益避寧 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 益避寧 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 益避寧?
The CAS number of 益避寧 is 54406-48-3.
What is the molecular formula of 益避寧?
The molecular formula of 益避寧 is C18H26O2.
What is the molecular weight of 益避寧?
The molecular weight of 益避寧 is 274.19 g/mol.
Where can I buy 益避寧?
You can request a quote for 益避寧 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 益避寧?
Yes, KEHONG BIO provides custom synthesis services for 益避寧 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.