3-O-Acetyloleanolic acid
TL;DR: 3-O-Acetyloleanolic acid (CAS 856832-73-0) 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-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: 3-O-Acetyloleanolic acid, Oleanolic acetate, Acetyloleanolic acid, Oleanolic acid acetate, 3-Acetyloleanolic acid
| Molecular Formula | C32H50O4 |
|---|---|
| Molecular Weight | 498.37 g/mol |
| LogP | 8.1 |
| 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 | 992.0 |
Chemical Identifiers
| CAS Number | 856832-73-0 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C |
| InChIKey | RIXNFYQZWDGQAE-UHFFFAOYSA-N |
Product Overview
3-O-Acetyloleanolic acid (CAS 856832-73-0), with molecular formula C32H50O4 and molecular weight 498.37 g/mol. IUPAC: 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 3-O-Acetyloleanolic acid
Property Insights of 3-O-Acetyloleanolic acid
The XLogP value of 8.1 indicates that 3-O-Acetyloleanolic 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 3-O-Acetyloleanolic acid. Following Lipinski's Rule of Five, 3-O-Acetyloleanolic 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 3-O-Acetyloleanolic acid?
The CAS number of 3-O-Acetyloleanolic acid is 856832-73-0.
What is the molecular formula of 3-O-Acetyloleanolic acid?
The molecular formula of 3-O-Acetyloleanolic acid is C32H50O4.
What is the molecular weight of 3-O-Acetyloleanolic acid?
The molecular weight of 3-O-Acetyloleanolic acid is 498.37 g/mol.
Where can I buy 3-O-Acetyloleanolic acid?
You can request a quote for 3-O-Acetyloleanolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Acetyloleanolic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Acetyloleanolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.