TL;DR: Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- (CAS 126145-51-5) is a chemical compound with molecular formula C17H20O3 and molecular weight 272.14124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-adamantyl)-2-hydroxybenzoic acid
Also Known As: 5-(1-adamantyl)-2-hydroxybenzoic acid, 5-(adamantan-1-yl)-2-hydroxybenzoic acid, 5-(Adamantyl-1)salicylic acid, 5-Adamantan-1-yl-2-hydroxy-benzoic acid, 5-(adamant-1-yl)salicylic acid
| Molecular Formula | C17H20O3 |
| Molecular Weight | 272.14124 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.14124 Da |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C(=O)O |
| InChIKey | KUCGAGONGXZTOE-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is 126145-51-5.
The molecular formula of Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is C17H20O3.
The molecular weight of Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is 272.14124 g/mol.
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