Di-2-ethylhexyl chlorendate
TL;DR: Di-2-ethylhexyl chlorendate (CAS 4827-55-8) is a chemical compound with molecular formula C25H36Cl6O4 and molecular weight 610.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Di-2-ethylhexyl chlorendate, Bis(2-ethylhexyl)chlorendate, bis(2-ethylhexyl) chlorendate, BIS CHLORENDATE95, bis-(2-Ethylhexyl)chlorendate
| Molecular Formula | C25H36Cl6O4 |
|---|---|
| Molecular Weight | 610.07 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 612.07153 |
| Heavy Atoms | 35 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 4827-55-8 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCC(CC)CCCC |
| InChIKey | ONIHOIFWLALAQH-UHFFFAOYSA-N |
Product Overview
Di-2-ethylhexyl chlorendate (CAS 4827-55-8), with molecular formula C25H36Cl6O4 and molecular weight 610.07 g/mol. IUPAC: bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Di-2-ethylhexyl chlorendate
Property Insights of Di-2-ethylhexyl chlorendate
The XLogP value of 9.0 indicates that Di-2-ethylhexyl 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, Di-2-ethylhexyl chlorendate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-2-ethylhexyl chlorendate 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 Di-2-ethylhexyl chlorendate?
The CAS number of Di-2-ethylhexyl chlorendate is 4827-55-8.
What is the molecular formula of Di-2-ethylhexyl chlorendate?
The molecular formula of Di-2-ethylhexyl chlorendate is C25H36Cl6O4.
What is the molecular weight of Di-2-ethylhexyl chlorendate?
The molecular weight of Di-2-ethylhexyl chlorendate is 610.07 g/mol.
Where can I buy Di-2-ethylhexyl chlorendate?
You can request a quote for Di-2-ethylhexyl chlorendate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-2-ethylhexyl chlorendate?
Yes, KEHONG BIO provides custom synthesis services for Di-2-ethylhexyl chlorendate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.