TL;DR: 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)- (CAS 115906-31-5) is a chemical compound with molecular formula C35H46N2O6 and molecular weight 590.3356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[9-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]nonyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Also Known As: 1,1'-(1,9-Nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)-2,5-pyrrolidinedione), 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)-, 1,1'-(Nonane-1,9-diyl)bis(3-{4-[(propan-2-yl)oxy]phenyl}pyrrolidine-2,5-dione), 1-[9-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]nonyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione, BRN 5683951
| Molecular Formula | C35H46N2O6 |
| Molecular Weight | 590.3356 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 590.3356 Da |
| Heavy Atoms | 43 |
| Complexity | 861.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCCCCCCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C |
| InChIKey | GISGEGULOGRPTF-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)-. Following Lipinski's Rule of Five, 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)- is 115906-31-5.
The molecular formula of 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)- is C35H46N2O6.
The molecular weight of 2,5-Pyrrolidinedione, 1,1'-(1,9-nonanediyl)bis(3-(4-(1-methylethoxy)phenyl)- is 590.3356 g/mol.
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