Spirodiclofen
TL;DR: Spirodiclofen (CAS 148477-71-8) is a chemical compound with molecular formula C21H24Cl2O4 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate
Also Known As: spirodiclofen, Envidor, Spirodiclofen [ISO], Spirodiclofen Technical, Spirodiclofen (Standard)
| Molecular Formula | C21H24Cl2O4 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.10516 |
| Heavy Atoms | 27 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 148477-71-8 |
|---|---|
| SMILES | CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | DTDSAWVUFPGDMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spirodiclofen (CAS 148477-71-8), with molecular formula C21H24Cl2O4 and molecular weight 410.11 g/mol. IUPAC: [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate.
Chemical Property Profile of Spirodiclofen
Property Insights of Spirodiclofen
The XLogP value of 5.9 indicates that Spirodiclofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Spirodiclofen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirodiclofen 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 Spirodiclofen?
The CAS number of Spirodiclofen is 148477-71-8.
What is the molecular formula of Spirodiclofen?
The molecular formula of Spirodiclofen is C21H24Cl2O4.
What is the molecular weight of Spirodiclofen?
The molecular weight of Spirodiclofen is 410.11 g/mol.
Where can I buy Spirodiclofen?
You can request a quote for Spirodiclofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirodiclofen?
Yes, KEHONG BIO provides custom synthesis services for Spirodiclofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.