Magnolialide
TL;DR: Magnolialide (CAS 72145-13-2) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Also Known As: Magnolialide, SID:210024004, (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one, (3aS)-3a,4,5,5a,6,7,8,9balpha-Octahydro-3-methylene-5aalpha,9-dimethyl-6alpha-hydroxynaphtho[1,2-b]furan-2(3H)-one, (3aS)-3abeta,4,5,5a,6,7,8,9balpha-Octahydro-6alpha-hydroxy-5aalpha,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 72145-13-2 |
|---|---|
| SMILES | CC1=C2[C@@H]3[C@@H](CC[C@]2([C@@H](CC1)O)C)C(=C)C(=O)O3 |
| InChIKey | STUGAIDUQVESQE-WJNVRWDZSA-N |
Product Overview
Magnolialide (CAS 72145-13-2), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one.
Chemical Property Profile of Magnolialide
Property Insights of Magnolialide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Magnolialide. With a topological polar surface area (TPSA) of 46.5 Ų, Magnolialide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Magnolialide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Magnolialide?
The CAS number of Magnolialide is 72145-13-2.
What is the molecular formula of Magnolialide?
The molecular formula of Magnolialide is C15H20O3.
What is the molecular weight of Magnolialide?
The molecular weight of Magnolialide is 248.14 g/mol.
Where can I buy Magnolialide?
You can request a quote for Magnolialide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magnolialide?
Yes, KEHONG BIO provides custom synthesis services for Magnolialide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.