3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside
TL;DR: 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside (CAS 1266547-91-4) is a chemical compound with molecular formula C36H36O11 and molecular weight 644.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: PMICG, J2.431.311E, 3'-Prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside, [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate, 3/'-prenyl-4/'-methoxyisoflavone-7-O-beta-(2/'/'-O-4-coumaroyl)glucopyranoside
| Molecular Formula | C36H36O11 |
|---|---|
| Molecular Weight | 644.23 g/mol |
| LogP | 4.1259 |
| Topological Polar Surface Area | 165.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 644.22577 |
| Heavy Atoms | 47 |
| Complexity | 1836.485 |
Chemical Identifiers
| CAS Number | 1266547-91-4 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)OC)C |
Product Overview
3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside (CAS 1266547-91-4), with molecular formula C36H36O11 and molecular weight 644.23 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside
Property Insights of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside
The XLogP value of 4.1259 indicates that 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.12 Ų indicates high polarity, suggesting 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside has 4 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 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside?
The CAS number of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside is 1266547-91-4.
What is the molecular formula of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside?
The molecular formula of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside is C36H36O11.
What is the molecular weight of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside?
The molecular weight of 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside is 644.23 g/mol.
Where can I buy 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside?
You can request a quote for 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3'-prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.