TL;DR: Bicisate (CAS 121251-02-3) is a chemical compound with molecular formula C12H24N2O4S2 and molecular weight 324.11774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate
Also Known As: Bicisate, Bicisate (Free base), Cysteine ethyl dimer, Ethyl cysteinate dimer, starbld0000849
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H24N2O4S2 |
| Molecular Weight | 324.11774 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 324.11774 Da |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
| Melting Point | 196-198ºC |
| Solubility | Insoluble |
| SMILES | CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC |
| InChIKey | RZQNBTMGBODDSK-UWVGGRQHSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicisate. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicisate. Following Lipinski's Rule of Five, Bicisate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bicisate is 121251-02-3.
The molecular formula of Bicisate is C12H24N2O4S2.
The molecular weight of Bicisate is 324.11774 g/mol.
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