TL;DR: [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate (CAS 107133-34-6) is a chemical compound with molecular formula C29H40O5 and molecular weight 468.28757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(3-propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate
Also Known As: 4-[(S,S)-2,3-Epoxyhexyloxy]phenyl 4-(decyloxy)benzoate, J1.178.498D, [4-[(3-propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate, [4-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]phenyl] 4-decoxybenzoate, 4-(Decyloxy)benzoic acid 4-[(3-propyloxiranyl)methoxy]phenyl ester
| Molecular Formula | C29H40O5 |
| Molecular Weight | 468.28757 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 468.28757 Da |
| Heavy Atoms | 34 |
| Complexity | 537.0 |
| SMILES | CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC3C(O3)CCC |
| InChIKey | SDWUPBPBMWMRLN-UHFFFAOYSA-N |
The XLogP value of 8.8 indicates that [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate is 107133-34-6.
The molecular formula of [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate is C29H40O5.
The molecular weight of [4-[(3-Propyloxiran-2-yl)methoxy]phenyl] 4-decoxybenzoate is 468.28757 g/mol.
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