TL;DR: 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene (CAS 13668-03-6) is a chemical compound with molecular formula C23H20O and molecular weight 312.15143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-ethoxy-2,3-diphenylcycloprop-2-en-1-yl)benzene
Also Known As: Triphenylcyclopropenylethylether, (1-ethoxy-2,3-diphenylcycloprop-2-en-1-yl)benzene, (1-ethoxy-2,3-diphenyl-1-cycloprop-2-enyl)benzene, 1,1',1''-(3-ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene
| Molecular Formula | C23H20O |
| Molecular Weight | 312.15143 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.15143 Da |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
| SMILES | CCOC1(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | DUFGOPMCDLNQKR-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene is 13668-03-6.
The molecular formula of 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene is C23H20O.
The molecular weight of 1,1',1''-(3-Ethoxycycloprop-1-ene-1,2,3-triyl)tribenzene is 312.15143 g/mol.
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