Salicylamide glucuronide
TL;DR: Salicylamide glucuronide (CAS 21309-50-2) is a chemical compound with molecular formula C13H15NO8 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(2-carbamoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Salicylamide glucuronide, 2-(beta-D-Glucopyranuronosyloxy)benzamide, 2-carbamoylphenyl, A-d-glucopyranosiduronic acid, O1-(2-carbamoyl-phenyl)-
| Molecular Formula | C13H15NO8 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07977 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 21309-50-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | AEMUKQHDNNVAES-CDHFTJPESA-N |
Product Overview
Salicylamide glucuronide (CAS 21309-50-2), with molecular formula C13H15NO8 and molecular weight 313.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(2-carbamoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Salicylamide glucuronide
Property Insights of Salicylamide glucuronide
The XLogP value of -1.1 indicates that Salicylamide glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Salicylamide glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Salicylamide 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 Salicylamide glucuronide?
The CAS number of Salicylamide glucuronide is 21309-50-2.
What is the molecular formula of Salicylamide glucuronide?
The molecular formula of Salicylamide glucuronide is C13H15NO8.
What is the molecular weight of Salicylamide glucuronide?
The molecular weight of Salicylamide glucuronide is 313.08 g/mol.
Where can I buy Salicylamide glucuronide?
You can request a quote for Salicylamide glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylamide glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Salicylamide glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.