TL;DR: Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester (CAS 123278-14-8) is a chemical compound with molecular formula C31H40O7 and molecular weight 524.2774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptyl 2-[7-(2-heptoxy-2-oxoethoxy)-9-oxofluoren-2-yl]oxyacetate
Also Known As: Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester, Diheptyl 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bisacetate, Diheptyl 2,2'-[(9-oxo-9H-fluorene-2,7-diyl)bis(oxy)]diacetate, heptyl 2-[7-(2-heptoxy-2-oxoethoxy)-9-oxofluoren-2-yl]oxyacetate, BRN 3636798
| Molecular Formula | C31H40O7 |
| Molecular Weight | 524.2774 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 524.2774 Da |
| Heavy Atoms | 38 |
| Complexity | 665.0 |
| SMILES | CCCCCCCOC(=O)COC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCC(=O)OCCCCCCC |
| InChIKey | KYHWFWRSEHOIAI-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester. Following Lipinski's Rule of Five, Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester is 123278-14-8.
The molecular formula of Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester is C31H40O7.
The molecular weight of Acetic acid, 2,2'-((9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, diheptyl ester is 524.2774 g/mol.
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