Kaempferol 3-O-glucuronide
TL;DR: Kaempferol 3-O-glucuronide (CAS 22688-78-4) is a chemical compound with molecular formula C21H18O12 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Kaempferol 3-glucuronide, Kaempferol 3-O-glucuronide, Kaempferol-O-glucuronide, kaempferol-3-o-glucuronide, Kaempferol 3-O-
| Molecular Formula | C21H18O12 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | -0.1522 |
| Topological Polar Surface Area | 207.35 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.07983 |
| Heavy Atoms | 33 |
| Complexity | 1264.9606 |
Chemical Identifiers
| CAS Number | 22688-78-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O |
Product Overview
Kaempferol 3-O-glucuronide (CAS 22688-78-4), with molecular formula C21H18O12 and molecular weight 462.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Kaempferol 3-O-glucuronide
Property Insights of Kaempferol 3-O-glucuronide
The XLogP value of -0.1522 indicates that Kaempferol 3-O-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.35 Ų indicates high polarity, suggesting Kaempferol 3-O-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kaempferol 3-O-glucuronide has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kaempferol 3-O-glucuronide?
The CAS number of Kaempferol 3-O-glucuronide is 22688-78-4.
What is the molecular formula of Kaempferol 3-O-glucuronide?
The molecular formula of Kaempferol 3-O-glucuronide is C21H18O12.
What is the molecular weight of Kaempferol 3-O-glucuronide?
The molecular weight of Kaempferol 3-O-glucuronide is 462.08 g/mol.
Where can I buy Kaempferol 3-O-glucuronide?
You can request a quote for Kaempferol 3-O-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kaempferol 3-O-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Kaempferol 3-O-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.