Diallyl chlorendate
TL;DR: Diallyl chlorendate (CAS 3232-62-0) is a chemical compound with molecular formula C15H12Cl6O4 and molecular weight 465.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Diallyl chlorendate, Chlorendic acid, diallyl ester, DIALLYLCHLORENDATE, Chlorendic acid,diallyl ester, AI3-26238
| Molecular Formula | C15H12Cl6O4 |
|---|---|
| Molecular Weight | 465.89 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.88373 |
| Heavy Atoms | 25 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 3232-62-0 |
|---|---|
| SMILES | C=CCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCC=C |
| InChIKey | CJKWEXMFQPNNTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl chlorendate (CAS 3232-62-0), with molecular formula C15H12Cl6O4 and molecular weight 465.89 g/mol. IUPAC: bis(prop-2-enyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Diallyl chlorendate
Property Insights of Diallyl chlorendate
The XLogP value of 4.0 indicates that Diallyl chlorendate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl chlorendate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl chlorendate has 0 hydrogen bond donor(s) and 4 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 Diallyl chlorendate?
The CAS number of Diallyl chlorendate is 3232-62-0.
What is the molecular formula of Diallyl chlorendate?
The molecular formula of Diallyl chlorendate is C15H12Cl6O4.
What is the molecular weight of Diallyl chlorendate?
The molecular weight of Diallyl chlorendate is 465.89 g/mol.
Where can I buy Diallyl chlorendate?
You can request a quote for Diallyl chlorendate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl chlorendate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl chlorendate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.