Magnolianin
TL;DR: Magnolianin (CAS 147663-91-0) is a chemical compound with molecular formula C54H50O8 and molecular weight 826.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2S,3S)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
Also Known As: Magnolianin, J1.520.901A, 5-[(2S,3S)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol, 1,2-Benzenediol, 5-[(2R,3R)-2,3-dihydro-3-[[(2'-hydroxy-5,5'-di-2-propen-1-yl[1,1'-biphenyl]-2-yl)oxy]methyl]-7-(2-propen-1-yl)-5-[4-(2-propen-1-yl)phenoxy]-1,4-benzodioxin-2-yl]-3-[4-(2-propen-1-yl)phenoxy]-, rel-, 3-[4-(2-Propenyl)phenoxy]-5-[(2S)-3alpha-[2-[2-hydroxy-5-(2-propenyl)phenyl]-4-(2-propenyl)phenoxymethyl]-5-[4-(2-propenyl)phenoxy]-7-(2-propenyl)-2,3-dihydro-1,4-benzodioxin-2beta-yl]pyrocatechol
| Molecular Formula | C54H50O8 |
|---|---|
| Molecular Weight | 826.35 g/mol |
| LogP | 12.6576 |
| Topological Polar Surface Area | 106.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 826.3506 |
| Heavy Atoms | 62 |
| Complexity | 2588.6511 |
Chemical Identifiers
| CAS Number | 147663-91-0 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)OC2=CC(=CC3=C2O[C@H]([C@@H](O3)C4=CC(=C(C(=C4)OC5=CC=C(C=C5)CC=C)O)O)COC6=C(C=C(C=C6)CC=C)C7=C(C=CC(=C7)CC=C)O)CC=C |
Product Overview
Magnolianin (CAS 147663-91-0), with molecular formula C54H50O8 and molecular weight 826.35 g/mol. IUPAC: 5-[(2S,3S)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol.
Chemical Property Profile of Magnolianin
Property Insights of Magnolianin
The XLogP value of 12.6576 indicates that Magnolianin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Magnolianin. Following Lipinski's Rule of Five, Magnolianin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Magnolianin?
The CAS number of Magnolianin is 147663-91-0.
What is the molecular formula of Magnolianin?
The molecular formula of Magnolianin is C54H50O8.
What is the molecular weight of Magnolianin?
The molecular weight of Magnolianin is 826.35 g/mol.
Where can I buy Magnolianin?
You can request a quote for Magnolianin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magnolianin?
Yes, KEHONG BIO provides custom synthesis services for Magnolianin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.