kaempferol-2,4-dicoumaroyl-3-O-glucoside
TL;DR: kaempferol-2,4-dicoumaroyl-3-O-glucoside (CAS 94535-60-1) is a chemical compound with molecular formula C39H32O15 and molecular weight 740.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: KDCG, Astragalin-2'',4''-di-p-coumaroil, 2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin, Kaempferol-2,4-dicoumaroyl-3-O-glucoside, [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C39H32O15 |
|---|---|
| Molecular Weight | 740.17 g/mol |
| LogP | 3.6953 |
| Topological Polar Surface Area | 242.88 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 740.17413 |
| Heavy Atoms | 54 |
| Complexity | 2258.291 |
Chemical Identifiers
| CAS Number | 94535-60-1 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)OC2C(OC(C(C2O)OC(=O)/C=C/C3=CC=C(C=C3)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O |
Product Overview
kaempferol-2,4-dicoumaroyl-3-O-glucoside (CAS 94535-60-1), with molecular formula C39H32O15 and molecular weight 740.17 g/mol. IUPAC: [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of kaempferol-2,4-dicoumaroyl-3-O-glucoside
Property Insights of kaempferol-2,4-dicoumaroyl-3-O-glucoside
The XLogP value of 3.6953 indicates that kaempferol-2,4-dicoumaroyl-3-O-glucoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.88 Ų indicates high polarity, suggesting kaempferol-2,4-dicoumaroyl-3-O-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, kaempferol-2,4-dicoumaroyl-3-O-glucoside has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of kaempferol-2,4-dicoumaroyl-3-O-glucoside?
The CAS number of kaempferol-2,4-dicoumaroyl-3-O-glucoside is 94535-60-1.
What is the molecular formula of kaempferol-2,4-dicoumaroyl-3-O-glucoside?
The molecular formula of kaempferol-2,4-dicoumaroyl-3-O-glucoside is C39H32O15.
What is the molecular weight of kaempferol-2,4-dicoumaroyl-3-O-glucoside?
The molecular weight of kaempferol-2,4-dicoumaroyl-3-O-glucoside is 740.17 g/mol.
Where can I buy kaempferol-2,4-dicoumaroyl-3-O-glucoside?
You can request a quote for kaempferol-2,4-dicoumaroyl-3-O-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for kaempferol-2,4-dicoumaroyl-3-O-glucoside?
Yes, KEHONG BIO provides custom synthesis services for kaempferol-2,4-dicoumaroyl-3-O-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.