TL;DR: Bisnorlipoate (CAS 13125-44-5) is a chemical compound with molecular formula C6H10O2S2 and molecular weight 178.01222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dithiolan-3-yl)propanoic acid
Also Known As: Bisnorlipoic acid, Bisnorlipoate, Bisnorthioctic acid, 1,2-Dithiolane-3-propanoic acid, 4,6-Dithiohexanoate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H10O2S2 |
| Molecular Weight | 178.01222 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.01222 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | C1CSSC1CCC(=O)O |
| InChIKey | RGQLDLUVIDCIBI-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bisnorlipoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bisnorlipoate. Following Lipinski's Rule of Five, Bisnorlipoate 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 Bisnorlipoate is 13125-44-5.
The molecular formula of Bisnorlipoate is C6H10O2S2.
The molecular weight of Bisnorlipoate is 178.01222 g/mol.
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