TL;DR: RefChem:341071 (CAS 87049-29-4) is a chemical compound with molecular formula C36H46N2O7 and molecular weight 618.3305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Also Known As: 1-(2,6-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone, Ethanone, 1-(2,6-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, 1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone, 1-{2,6-Bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4628152
| Molecular Formula | C36H46N2O7 |
| Molecular Weight | 618.3305 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 618.3305 Da |
| Heavy Atoms | 45 |
| Complexity | 828.0 |
| SMILES | CC(=O)C1=C(C=CC=C1OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O |
| InChIKey | SGINKSRVTMZODA-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:341071. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:341071. Following Lipinski's Rule of Five, RefChem:341071 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:341071 is 87049-29-4.
The molecular formula of RefChem:341071 is C36H46N2O7.
The molecular weight of RefChem:341071 is 618.3305 g/mol.
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