RefChem:568090
TL;DR: RefChem:568090 (CAS 68833-65-8) is a chemical compound with molecular formula C17H20Cl6O8 and molecular weight 561.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(2-hydroxyethoxy)ethyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Bis(diethylene glycol) chlorendate, 1-(10-methylundecyl)-3-phenoxybenzene, bis[2-(2-hydroxyethoxy)ethyl]1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-(2-hydroxyethoxy)ethyl) ester, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-(2-hydroxyethoxy)ethyl) ester
| Molecular Formula | C17H20Cl6O8 |
|---|---|
| Molecular Weight | 561.93 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 563.92596 |
| Heavy Atoms | 31 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 68833-65-8 |
|---|---|
| SMILES | C(COCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCCOCCO)O |
| InChIKey | KLOLGGOJHRWANR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:568090 (CAS 68833-65-8), with molecular formula C17H20Cl6O8 and molecular weight 561.93 g/mol. IUPAC: bis[2-(2-hydroxyethoxy)ethyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of RefChem:568090
Property Insights of RefChem:568090
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:568090. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:568090. Following Lipinski's Rule of Five, RefChem:568090 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:568090?
The CAS number of RefChem:568090 is 68833-65-8.
What is the molecular formula of RefChem:568090?
The molecular formula of RefChem:568090 is C17H20Cl6O8.
What is the molecular weight of RefChem:568090?
The molecular weight of RefChem:568090 is 561.93 g/mol.
Where can I buy RefChem:568090?
You can request a quote for RefChem:568090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:568090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:568090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.