TL;DR: (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid (CAS 155730-92-0) is a chemical compound with molecular formula C22H25NO4 and molecular weight 367.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(3S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid
Also Known As: S-2E, S 2E, S-2E, >=98% (HPLC), powder, (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid, J1.205.612E
| Molecular Formula | C22H25NO4 |
| Molecular Weight | 367.17834 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.17834 Da |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C[C@H](CC2=O)COC3=CC=C(C=C3)C(=O)O |
| InChIKey | YZADMDZNVOBYGR-HNNXBMFYSA-N |
The XLogP value of 4.1 indicates that (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid. Following Lipinski's Rule of Five, (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid is 155730-92-0.
The molecular formula of (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid is C22H25NO4.
The molecular weight of (S)-(+)-4-[1-(4-tert-Butylphenyl)-2-oxo-pyrrolidin-4-yl]methoxybenzoic acid is 367.17834 g/mol.
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