Magnolignan H
TL;DR: Magnolignan H (CAS 138591-12-5) is a chemical compound with molecular formula C36H34O6 and molecular weight 562.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzofuran-7-ol
Also Known As: Magnolignan H, NCI60_017649, (2R,3S)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzofuran-7-ol, (2R)-2,3-Dihydro-7-hydroxy-4-(2-propenyl)-6-[4-(2-propenyl)phenoxy]-3beta-[2,2 -dihydroxy-5 -(2-propenyl)-1,1 -biphenyl-5-yl]benzofuran-2beta-methanol, (2R,3S)-3-(4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl)-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzofuran-7-ol
| Molecular Formula | C36H34O6 |
|---|---|
| Molecular Weight | 562.24 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 562.23553 |
| Heavy Atoms | 42 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 138591-12-5 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)OC2=C(C3=C([C@@H]([C@@H](O3)CO)C4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC=C)O)C(=C2)CC=C)O |
| InChIKey | YGUKSKZCBFPXIC-JHOUSYSJSA-N |
Product Overview
Magnolignan H (CAS 138591-12-5), with molecular formula C36H34O6 and molecular weight 562.24 g/mol. IUPAC: (2R,3S)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzofuran-7-ol.
Chemical Property Profile of Magnolignan H
Property Insights of Magnolignan H
The XLogP value of 8.1 indicates that Magnolignan H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Magnolignan H. Following Lipinski's Rule of Five, Magnolignan H has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Magnolignan H?
The CAS number of Magnolignan H is 138591-12-5.
What is the molecular formula of Magnolignan H?
The molecular formula of Magnolignan H is C36H34O6.
What is the molecular weight of Magnolignan H?
The molecular weight of Magnolignan H is 562.24 g/mol.
Where can I buy Magnolignan H?
You can request a quote for Magnolignan H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magnolignan H?
Yes, KEHONG BIO provides custom synthesis services for Magnolignan H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.