Lupeol Acetate
TL;DR: Lupeol Acetate (CAS 1617-68-1) is a chemical compound with molecular formula C32H52O2 and molecular weight 468.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
Also Known As: Lupeol acetate, 3-Acetyllupeol, Lupeyl acetate, LUPENYL ACETATE, 3-O-Acetyllupeol
| Molecular Formula | C32H52O2 |
|---|---|
| Molecular Weight | 468.40 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.39673 |
| Heavy Atoms | 34 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 1617-68-1 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C |
| InChIKey | ODSSDTBFHAYYMD-YOJQYFTNSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lupeol Acetate (CAS 1617-68-1), with molecular formula C32H52O2 and molecular weight 468.40 g/mol. IUPAC: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate.
Chemical Property Profile of Lupeol Acetate
Property Insights of Lupeol Acetate
The XLogP value of 10.4 indicates that Lupeol Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Lupeol Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupeol Acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lupeol Acetate?
The CAS number of Lupeol Acetate is 1617-68-1.
What is the molecular formula of Lupeol Acetate?
The molecular formula of Lupeol Acetate is C32H52O2.
What is the molecular weight of Lupeol Acetate?
The molecular weight of Lupeol Acetate is 468.40 g/mol.
Where can I buy Lupeol Acetate?
You can request a quote for Lupeol Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupeol Acetate?
Yes, KEHONG BIO provides custom synthesis services for Lupeol Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.