TL;DR: But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol (CAS 59177-79-6) is a chemical compound with molecular formula C16H25NO5 and molecular weight 311.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol
Also Known As: 4-Hydroxy-N-methyl-4-protoadamantanemethanamine maleate, 2,5-Methanoindan-4-methylamine, hexahydro-4-hydroxy-N-methyl-, maleate, HEXAHYDRO-4-HYDROXY-N-METHYL-2,5-METHANOINDAN-4-METHYLAMINE MALEATE
| Molecular Formula | C16H25NO5 |
| Molecular Weight | 311.17328 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.17328 Da |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
| SMILES | CNCC1(C2CCC3C1CC(C3)C2)O.C(=CC(=O)O)C(=O)O |
| InChIKey | YXVOLBJYTNUYTH-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol. Following Lipinski's Rule of Five, But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol is 59177-79-6.
The molecular formula of But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol is C16H25NO5.
The molecular weight of But-2-enedioic acid;7-(methylaminomethyl)tricyclo[4.3.1.03,8]decan-7-ol is 311.17328 g/mol.
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