2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside
TL;DR: 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside (CAS 61826-89-9) is a chemical compound with molecular formula C22H24O10 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[2-hydroxy-6-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Also Known As: Cid 6443577, 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside, (E)-1-[2-hydroxy-6-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one, 1-(4-(D-Glucopyranosyloxy)-2-hydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, RefChem:80135
| Molecular Formula | C22H24O10 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 0.1812 |
| Topological Polar Surface Area | 166.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.13693 |
| Heavy Atoms | 32 |
| Complexity | 969.422 |
Chemical Identifiers
| CAS Number | 61826-89-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside (CAS 61826-89-9), with molecular formula C22H24O10 and molecular weight 448.14 g/mol. IUPAC: (E)-1-[2-hydroxy-6-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside
Property Insights of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside
The XLogP value of 0.1812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside. The TPSA of 166.14 Ų indicates high polarity, suggesting 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside?
The CAS number of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside is 61826-89-9.
What is the molecular formula of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside?
The molecular formula of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside is C22H24O10.
What is the molecular weight of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside?
The molecular weight of 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside is 448.14 g/mol.
Where can I buy 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside?
You can request a quote for 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.