Salicylic acid phenolic glucuronide
TL;DR: Salicylic acid phenolic glucuronide (CAS 7695-70-7) is a chemical compound with molecular formula C13H14O9 and molecular weight 314.06 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-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 1-Salicylate glucuronide, Phenolic SA glucuronide, Salicylic Glucuronide, Salicyl glucuronide, Salicylphenolic glucuronide
| Molecular Formula | C13H14O9 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | -1.3442 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.06378 |
| Heavy Atoms | 22 |
| Complexity | 572.3841 |
Chemical Identifiers
| CAS Number | 7695-70-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
Salicylic acid phenolic glucuronide (CAS 7695-70-7), with molecular formula C13H14O9 and molecular weight 314.06 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Salicylic acid phenolic glucuronide
Property Insights of Salicylic acid phenolic glucuronide
The XLogP value of -1.3442 indicates that Salicylic acid phenolic glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.75 Ų indicates high polarity, suggesting Salicylic acid phenolic glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Salicylic acid phenolic glucuronide has 5 hydrogen bond donor(s) and 7 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 Salicylic acid phenolic glucuronide?
The CAS number of Salicylic acid phenolic glucuronide is 7695-70-7.
What is the molecular formula of Salicylic acid phenolic glucuronide?
The molecular formula of Salicylic acid phenolic glucuronide is C13H14O9.
What is the molecular weight of Salicylic acid phenolic glucuronide?
The molecular weight of Salicylic acid phenolic glucuronide is 314.06 g/mol.
Where can I buy Salicylic acid phenolic glucuronide?
You can request a quote for Salicylic acid phenolic glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid phenolic glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid phenolic glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.