TL;DR: alpha Lipoic acid (CAS 1077-28-7) is a chemical compound with molecular formula C8H14O2S2 and molecular weight 206.04352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dithiolan-3-yl)pentanoic acid
Also Known As: thioctic acid, dl-Thioctic acid, lipoic acid, alpha-Lipoic acid, DL-alpha-Lipoic acid
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H14O2S2 |
| Molecular Weight | 206.04352 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.04352 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Melting Point | 60.5 |
| Boiling Point | 162.5 |
| Solubility | Insoluble |
| SMILES | C1CSSC1CCCCC(=O)O |
| InChIKey | AGBQKNBQESQNJD-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha Lipoic acid. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha Lipoic acid. Following Lipinski's Rule of Five, alpha Lipoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha Lipoic acid is 1077-28-7.
The molecular formula of alpha Lipoic acid is C8H14O2S2.
The molecular weight of alpha Lipoic acid is 206.04352 g/mol.
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