Madecassic Acid
TL;DR: Madecassic Acid (CAS 18449-41-7) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: Madecassic acid, Brahmic acid, madecaic acid, Brahmsaeure, madecaic acid;
| Molecular Formula | C30H48O6 |
|---|---|
| Molecular Weight | 504.35 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 504.3451 |
| Heavy Atoms | 36 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 18449-41-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChIKey | PRAUVHZJPXOEIF-AOLYGAPISA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Madecassic Acid (CAS 18449-41-7), with molecular formula C30H48O6 and molecular weight 504.35 g/mol. IUPAC: (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of Madecassic Acid
Property Insights of Madecassic Acid
The XLogP value of 4.4 indicates that Madecassic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Madecassic Acid. Following Lipinski's Rule of Five, Madecassic Acid has 5 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 Madecassic Acid?
The CAS number of Madecassic Acid is 18449-41-7.
What is the molecular formula of Madecassic Acid?
The molecular formula of Madecassic Acid is C30H48O6.
What is the molecular weight of Madecassic Acid?
The molecular weight of Madecassic Acid is 504.35 g/mol.
Where can I buy Madecassic Acid?
You can request a quote for Madecassic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Madecassic Acid?
Yes, KEHONG BIO provides custom synthesis services for Madecassic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.