TL;DR: Acetaminophen cysteinylglycine (CAS 116709-74-1) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R)-3-(4-acetamidophenyl)sulfanyl-2-aminopropanoyl]amino]acetic acid
Also Known As: Acetaminophen cysteinylglycine, AA-Cys-CG, S-(4-Acetamidophenyl)-L-cysteinylglycine, 2-[[(2R)-3-(4-acetamidophenyl)sulfanyl-2-aminopropanoyl]amino]acetic acid, N-(S-(4-(Acetylamino)phenyl)-L-cysteinyl)glycine
| Molecular Formula | C13H17N3O4S |
| Molecular Weight | 311.09396 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.09396 Da |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)SC[C@@H](C(=O)NCC(=O)O)N |
| InChIKey | KUWSNHSHZVMAQS-NSHDSACASA-N |
The XLogP value of -2.6 indicates that Acetaminophen cysteinylglycine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Acetaminophen cysteinylglycine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetaminophen cysteinylglycine 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 Acetaminophen cysteinylglycine is 116709-74-1.
The molecular formula of Acetaminophen cysteinylglycine is C13H17N3O4S.
The molecular weight of Acetaminophen cysteinylglycine is 311.09396 g/mol.
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