TL;DR: Monoisoamyl-2,3-dimercaptosuccinate (CAS 142609-62-9) is a chemical compound with molecular formula C9H16O4S2 and molecular weight 252.049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-4-(3-methylbutoxy)-4-oxo-2,3-bis(sulfanyl)butanoic acid
Also Known As: Blaa protein, MiADMSA, Mi-ADMS, MiADMS, Monoisoamyl-2,3-dimercaptosuccinate
| Molecular Formula | C9H16O4S2 |
| Molecular Weight | 252.049 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.049 Da |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
| SMILES | CC(C)CCOC(=O)[C@H]([C@H](C(=O)O)S)S |
| InChIKey | RIBYSYWXWXMDSW-RQJHMYQMSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoisoamyl-2,3-dimercaptosuccinate. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoisoamyl-2,3-dimercaptosuccinate. Following Lipinski's Rule of Five, Monoisoamyl-2,3-dimercaptosuccinate has 3 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 Monoisoamyl-2,3-dimercaptosuccinate is 142609-62-9.
The molecular formula of Monoisoamyl-2,3-dimercaptosuccinate is C9H16O4S2.
The molecular weight of Monoisoamyl-2,3-dimercaptosuccinate is 252.049 g/mol.
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