TL;DR: S-(6-Purinyl)glutathione (CAS 136040-02-3) is a chemical compound with molecular formula C15H19N7O6S and molecular weight 425.11176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-5-[[(2R)-2-amino-3-(7H-purin-6-ylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Also Known As: S-(6-Purinyl)glutathione, 2-methyl-3-butylaminopropionic acid methyl ester, gamma-Glutamyl-N-[S-(9H-purin-6-yl)cysteinyl]glycine, L-IU-Glutamyl-N-[S-(7H-purin-6-yl)-L-cysteinyl]glycine, (2S)-2-amino-5-[[(2R)-2-amino-3-(7H-purin-6-ylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
| Molecular Formula | C15H19N7O6S |
| Molecular Weight | 425.11176 g/mol |
| XLogP | -6.6 |
| Topological Polar Surface Area (TPSA) | 244.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 425.11176 Da |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N |
| InChIKey | FFQGDEVBDCNBBY-YUMQZZPRSA-N |
The XLogP value of -6.6 indicates that S-(6-Purinyl)glutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting S-(6-Purinyl)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(6-Purinyl)glutathione has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of S-(6-Purinyl)glutathione is 136040-02-3.
The molecular formula of S-(6-Purinyl)glutathione is C15H19N7O6S.
The molecular weight of S-(6-Purinyl)glutathione is 425.11176 g/mol.
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