TL;DR: Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- (CAS 21528-24-5) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]benzoic acid
Also Known As: 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]benzoic acid, 2-[p- benzoyl]-5- benzoicacid, Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]-, Benzoic acid, 5-(dimethylamino)-2-(4-(dimethylamino)benzoyl)-, 5-(Dimethylamino)-2-(4-(dimethylamino)benzoyl)benzoic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.1474 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1474 Da |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N(C)C)C(=O)O |
| InChIKey | JJCFABAQVHRXAW-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]-. Following Lipinski's Rule of Five, Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- is 21528-24-5.
The molecular formula of Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- is C18H20N2O3.
The molecular weight of Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- is 312.1474 g/mol.
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