TL;DR: Paracetamol-cysteine (CAS 1331891-93-0) is a chemical compound with molecular formula C11H14N2O4S and molecular weight 270.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-aminopropanoic acid
Also Known As: paracetamol-cysteine, 3-(Cystein-S-yl)paracetamol, 3-Cysteinylacetaminophen, 3-(Cystein-S-yl)acetaminophen, 3-Cysteinylacetaminophen-d3
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14N2O4S |
| Molecular Weight | 270.0674 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0674 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)O)N |
| InChIKey | LLHICPSCVFRWDT-QMMMGPOBSA-N |
The XLogP value of -2.3 indicates that Paracetamol-cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Paracetamol-cysteine. Following Lipinski's Rule of Five, Paracetamol-cysteine has 4 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 Paracetamol-cysteine is 1331891-93-0.
The molecular formula of Paracetamol-cysteine is C11H14N2O4S.
The molecular weight of Paracetamol-cysteine is 270.0674 g/mol.
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