TL;DR: EINECS 240-236-3 (CAS 16083-78-6) is a chemical compound with molecular formula C21H9F31O3 and molecular weight 898.0057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-16-(trifluoromethyl)heptadecyl] 2-hydroxyprop-2-enoate
Also Known As: EINECS 240-236-3, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-Octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl acrylate, [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-16-(trifluoromethyl)heptadecyl] 2-hydroxyprop-2-enoate, 240-236-3, Acrylic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-trifluoromethyl-heptadecyl ester
| Molecular Formula | C21H9F31O3 |
| Molecular Weight | 898.0057 g/mol |
| XLogP | 11.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 18 |
| Exact Mass | 898.0057 Da |
| Heavy Atoms | 55 |
| Complexity | 1400.0 |
| SMILES | C=C(C(=O)OCCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
| InChIKey | WVZPPSUMWZROGE-UHFFFAOYSA-N |
The XLogP value of 11.8 indicates that EINECS 240-236-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, EINECS 240-236-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 240-236-3 has 1 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of EINECS 240-236-3 is 16083-78-6.
The molecular formula of EINECS 240-236-3 is C21H9F31O3.
The molecular weight of EINECS 240-236-3 is 898.0057 g/mol.
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