TL;DR: ML308 (CAS 1004914-07-1) is a chemical compound with molecular formula C15H19N3OS and molecular weight 289.12488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1S)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: ML308, 4-((S)-1-((1R, 2R, 4S)-bicyclo[2.2.1]heptan-2-yl)ethyl)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((S)-1-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl)ethyl)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H19N3OS |
| Molecular Weight | 289.12488 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12488 Da |
| Heavy Atoms | 20 |
| Complexity | 452.0 |
| SMILES | C[C@@H]([C@@H]1C[C@H]2CC[C@@H]1C2)N3C(=NNC3=S)C4=CC=CO4 |
| InChIKey | BMFYLIVNFBIFOS-YFKTTZPYSA-N |
The XLogP value of 3.8 indicates that ML308 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ML308. Following Lipinski's Rule of Five, ML308 has 1 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 ML308 is 1004914-07-1.
The molecular formula of ML308 is C15H19N3OS.
The molecular weight of ML308 is 289.12488 g/mol.
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