TL;DR: 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione (CAS 608493-07-8) is a chemical compound with molecular formula C29H36N2O4 and molecular weight 476.26752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione, 5-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C29H36N2O4 |
| Molecular Weight | 476.26752 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.26752 Da |
| Heavy Atoms | 35 |
| Complexity | 804.0 |
| SMILES | CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)(C)C)O)OCC=C |
| InChIKey | UHOKRQPJOOHPAT-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione is 608493-07-8.
The molecular formula of 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione is C29H36N2O4.
The molecular weight of 5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione is 476.26752 g/mol.
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