Acetylursolic acid
TL;DR: Acetylursolic acid (CAS 7372-30-7) is a chemical compound with molecular formula C32H50O4 and molecular weight 498.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: Acetylursolic acid, Ursolic acid acetate, Acetyl ursolic acid, Ursolic acid deriv., 3-acetylursolic acid [M+H]+
| Molecular Formula | C32H50O4 |
|---|---|
| Molecular Weight | 498.37 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.3709 |
| Heavy Atoms | 36 |
| Complexity | 981.0 |
Chemical Identifiers
| CAS Number | 7372-30-7 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O |
| InChIKey | PHFUCJXOLZAQNH-UHFFFAOYSA-N |
Product Overview
Acetylursolic acid (CAS 7372-30-7), with molecular formula C32H50O4 and molecular weight 498.37 g/mol. IUPAC: 10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of Acetylursolic acid
Property Insights of Acetylursolic acid
The XLogP value of 7.9 indicates that Acetylursolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylursolic acid. Following Lipinski's Rule of Five, Acetylursolic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylursolic acid?
The CAS number of Acetylursolic acid is 7372-30-7.
What is the molecular formula of Acetylursolic acid?
The molecular formula of Acetylursolic acid is C32H50O4.
What is the molecular weight of Acetylursolic acid?
The molecular weight of Acetylursolic acid is 498.37 g/mol.
Where can I buy Acetylursolic acid?
You can request a quote for Acetylursolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylursolic acid?
Yes, KEHONG BIO provides custom synthesis services for Acetylursolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.