TL;DR: (R)-Propyl 2-amino-3-mercaptopropanoate (CAS 125511-28-6) is a chemical compound with molecular formula C6H13NO2S and molecular weight 163.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 2-amino-3-sulfanylpropanoate
Also Known As: propyl cysteinate, (R)-Propyl 2-amino-3-mercaptopropanoate, Cysteine, propyl ester (9CI), propyl 2-amino-3-sulfanylpropanoate, Propyl 2-amino-3-sulfanyl-propanoate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H13NO2S |
| Molecular Weight | 163.0667 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 163.0667 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| SMILES | CCCOC(=O)C(CS)N |
| InChIKey | AZDDIYKMQFIXBW-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-Propyl 2-amino-3-mercaptopropanoate. With a topological polar surface area (TPSA) of 53.3 Ų, (R)-Propyl 2-amino-3-mercaptopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-Propyl 2-amino-3-mercaptopropanoate has 2 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 (R)-Propyl 2-amino-3-mercaptopropanoate is 125511-28-6.
The molecular formula of (R)-Propyl 2-amino-3-mercaptopropanoate is C6H13NO2S.
The molecular weight of (R)-Propyl 2-amino-3-mercaptopropanoate is 163.0667 g/mol.
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