Acetoxolone
TL;DR: Acetoxolone (CAS 21308-87-2) is a chemical compound with molecular formula C32H48O5 and molecular weight 512.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Also Known As: Acetoxolone, Acetoxolone aluminium salt, 3-(acetyloxy)-11-oxoolean-12-en-29-oic acid, 3-(acetyloxy)-11-oxoolean-12-en-30-oic acid, 10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
| Molecular Formula | C32H48O5 |
|---|---|
| Molecular Weight | 512.35 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.35016 |
| Heavy Atoms | 37 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 21308-87-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| InChIKey | FTQDJVZNPJRVPG-UHFFFAOYSA-N |
Product Overview
Acetoxolone (CAS 21308-87-2), with molecular formula C32H48O5 and molecular weight 512.35 g/mol. IUPAC: 10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.
Chemical Property Profile of Acetoxolone
Property Insights of Acetoxolone
The XLogP value of 7.0 indicates that Acetoxolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetoxolone. Following Lipinski's Rule of Five, Acetoxolone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetoxolone?
The CAS number of Acetoxolone is 21308-87-2.
What is the molecular formula of Acetoxolone?
The molecular formula of Acetoxolone is C32H48O5.
What is the molecular weight of Acetoxolone?
The molecular weight of Acetoxolone is 512.35 g/mol.
Where can I buy Acetoxolone?
You can request a quote for Acetoxolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoxolone?
Yes, KEHONG BIO provides custom synthesis services for Acetoxolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.