3-(glutathion-S-yl)acetaminophen
TL;DR: 3-(glutathion-S-yl)acetaminophen (CAS 64889-81-2) is a chemical compound with molecular formula C18H24N4O8S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-[[(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid
Also Known As: AA-Glutathion, AA-Gsh, Acetaminophen glutathion, 3-Gsh-acetaminophen, 3-(Glutathion-S-yl)acetaminophen
| Molecular Formula | C18H24N4O8S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 456.13147 |
| Heavy Atoms | 31 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 64889-81-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| InChIKey | VFNAXGMNFCUWCI-RYUDHWBXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(glutathion-S-yl)acetaminophen (CAS 64889-81-2), with molecular formula C18H24N4O8S and molecular weight 456.13 g/mol. IUPAC: (2S)-5-[[(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid.
Chemical Property Profile of 3-(glutathion-S-yl)acetaminophen
Property Insights of 3-(glutathion-S-yl)acetaminophen
The XLogP value of -3.8 indicates that 3-(glutathion-S-yl)acetaminophen is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting 3-(glutathion-S-yl)acetaminophen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(glutathion-S-yl)acetaminophen has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(glutathion-S-yl)acetaminophen?
The CAS number of 3-(glutathion-S-yl)acetaminophen is 64889-81-2.
What is the molecular formula of 3-(glutathion-S-yl)acetaminophen?
The molecular formula of 3-(glutathion-S-yl)acetaminophen is C18H24N4O8S.
What is the molecular weight of 3-(glutathion-S-yl)acetaminophen?
The molecular weight of 3-(glutathion-S-yl)acetaminophen is 456.13 g/mol.
Where can I buy 3-(glutathion-S-yl)acetaminophen?
You can request a quote for 3-(glutathion-S-yl)acetaminophen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(glutathion-S-yl)acetaminophen?
Yes, KEHONG BIO provides custom synthesis services for 3-(glutathion-S-yl)acetaminophen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.