TL;DR: 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE (CAS 202843-27-4) is a chemical compound with molecular formula C24H23F3O5 and molecular weight 448.14975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yloxy-6-propyl-2-(trifluoromethyl)chromen-4-one
Also Known As: 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(propan-2-yloxy)-6-propyl-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yloxy-6-propyl-2-(trifluoromethyl)chromen-4-one, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-isopropoxy-6-propyl-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C24H23F3O5 |
| Molecular Weight | 448.14975 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.14975 Da |
| Heavy Atoms | 32 |
| Complexity | 719.0 |
| SMILES | CCCC1=CC2=C(C=C1OC(C)C)OC(=C(C2=O)C3=CC4=C(C=C3)OCCO4)C(F)(F)F |
| InChIKey | LWMVWOWUWFTWJO-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE is 202843-27-4.
The molecular formula of 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE is C24H23F3O5.
The molecular weight of 3(2,3-2H-BENZO(1,4)DIOXIN-6-YL)7-ISOPROPOXY-6-PR-2-TRIFLUOROMETHYL-CHROMEN-4-ONE is 448.14975 g/mol.
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