21-Acetoxyfriedelan-3-one
TL;DR: 21-Acetoxyfriedelan-3-one (CAS 84749-92-8) is a chemical compound with molecular formula C32H52O3 and molecular weight 484.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-3-yl] acetate
Also Known As: 21-Acetoxyfriedelan-3-one, 21alpha-Acetoxyfriedelan-3-one, 21alpha-Acetoxyfriedelin, 21 alpha-acetoxyfriedelan-3-one, [(3R,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-3-yl] acetate
| Molecular Formula | C32H52O3 |
|---|---|
| Molecular Weight | 484.39 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.39163 |
| Heavy Atoms | 35 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 84749-92-8 |
|---|---|
| SMILES | C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC([C@@H](C5)OC(=O)C)(C)C)C)C)C)C)C |
| InChIKey | UTOJOQUKXYZEDT-QDNMNTGMSA-N |
Product Overview
21-Acetoxyfriedelan-3-one (CAS 84749-92-8), with molecular formula C32H52O3 and molecular weight 484.39 g/mol. IUPAC: [(3R,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-3-yl] acetate.
Chemical Property Profile of 21-Acetoxyfriedelan-3-one
Property Insights of 21-Acetoxyfriedelan-3-one
The XLogP value of 8.8 indicates that 21-Acetoxyfriedelan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 21-Acetoxyfriedelan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Acetoxyfriedelan-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21-Acetoxyfriedelan-3-one?
The CAS number of 21-Acetoxyfriedelan-3-one is 84749-92-8.
What is the molecular formula of 21-Acetoxyfriedelan-3-one?
The molecular formula of 21-Acetoxyfriedelan-3-one is C32H52O3.
What is the molecular weight of 21-Acetoxyfriedelan-3-one?
The molecular weight of 21-Acetoxyfriedelan-3-one is 484.39 g/mol.
Where can I buy 21-Acetoxyfriedelan-3-one?
You can request a quote for 21-Acetoxyfriedelan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Acetoxyfriedelan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 21-Acetoxyfriedelan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.