TL;DR: Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)- (CAS 50741-81-6) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid
Also Known As: 2-Benzyloxy-2-cyclohexen-1-on, N-(5-Methyl-3-adamantoyl)anthranilic acid, N-(5-Methyl-3-adamantylcarbonyl)anthranilic acid, Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)-, 2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.1678 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1678 Da |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
| SMILES | CC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=CC=C4C(=O)O |
| InChIKey | QKDPNEKQTPDOSD-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)-. Following Lipinski's Rule of Five, Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)- is 50741-81-6.
The molecular formula of Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)- is C19H23NO3.
The molecular weight of Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)- is 313.1678 g/mol.
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