Acetaminophen Glucuronide
TL;DR: Acetaminophen Glucuronide (CAS 16110-10-4) is a chemical compound with molecular formula C14H17NO8 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Acetaminophen glucuronide, Paracetamol glucuronide, paracetamol-glucuronide, PCM-g, 4-acetamidophenol glucuronide
| Molecular Formula | C14H17NO8 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09543 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 16110-10-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | IPROLSVTVHAQLE-BYNIDDHOSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetaminophen Glucuronide (CAS 16110-10-4), with molecular formula C14H17NO8 and molecular weight 327.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Acetaminophen Glucuronide
Property Insights of Acetaminophen Glucuronide
The XLogP value of -0.8 indicates that Acetaminophen Glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting Acetaminophen Glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetaminophen Glucuronide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetaminophen Glucuronide?
The CAS number of Acetaminophen Glucuronide is 16110-10-4.
What is the molecular formula of Acetaminophen Glucuronide?
The molecular formula of Acetaminophen Glucuronide is C14H17NO8.
What is the molecular weight of Acetaminophen Glucuronide?
The molecular weight of Acetaminophen Glucuronide is 327.10 g/mol.
Where can I buy Acetaminophen Glucuronide?
You can request a quote for Acetaminophen Glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaminophen Glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Acetaminophen Glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.