TL;DR: Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester (CAS 20393-06-0) is a chemical compound with molecular formula C24H28N2O2S and molecular weight 408.18716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[4-(dimethylamino)phenyl]methyl 4-methylbenzenesulfinate
Also Known As: Bis(p-(dimethylamino)phenyl)methyl p-toluenesulphinate, bis[p- phenyl]methylp-toluenesulphinate, 4-[ - sulfinyloxy-methyl]-N,N-dimethyl-aniline, Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester, p-Toluenesulfinic acid, bis(p-(dimethylamino)phenyl)methyl ester
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H28N2O2S |
| Molecular Weight | 408.18716 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.18716 Da |
| Heavy Atoms | 29 |
| Complexity | 475.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)OC(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C |
| InChIKey | PFRXVBQHUSKFSS-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester is 20393-06-0.
The molecular formula of Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester is C24H28N2O2S.
The molecular weight of Benzenesulfinic acid, 4-methyl-, bis[4-(dimethylamino)phenyl]methyl ester is 408.18716 g/mol.
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