RefChem:411159
TL;DR: RefChem:411159 (CAS 67846-42-8) is a chemical compound with molecular formula C27H26F6O8 and molecular weight 592.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 4-[2-[3,4-bis(ethoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarboxylate
Also Known As: 4,4'-(Bis(trifluoromethyl)ethylene)diphthalic acid, diethyl ester, Tetraethyl 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bisphthalate, 1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-, 1,1',2,2'-tetraethyl ester, 1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-, tetraethyl ester, Tetraethyl 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bisphthalate
Technical Specifications
| Molecular Formula | C27H26F6O8 |
| Molecular Weight | 592.1532 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 592.1532 Da |
| Heavy Atoms | 41 |
| Complexity | 860.0 |
| SMILES | CCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)OCC)C(=O)OCC)(C(F)(F)F)C(F)(F)F)C(=O)OCC |
| InChIKey | SHDCCUHYEVELSX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:411159
Property Insights of RefChem:411159
The XLogP value of 6.7 indicates that RefChem:411159 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:411159. Following Lipinski's Rule of Five, RefChem:411159 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:411159?
The CAS number of RefChem:411159 is 67846-42-8.
What is the molecular formula of RefChem:411159?
The molecular formula of RefChem:411159 is C27H26F6O8.
What is the molecular weight of RefChem:411159?
The molecular weight of RefChem:411159 is 592.1532 g/mol.
Where can I buy RefChem:411159?
You can request a quote for RefChem:411159 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:411159?
Yes, CoreyChem provides custom synthesis services for RefChem:411159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.