Cholest-8(14)-en-3-yl-15-one oleate
TL;DR: Cholest-8(14)-en-3-yl-15-one oleate (CAS 112757-40-1) is a chemical compound with molecular formula C45H76O3 and molecular weight 664.57947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: 15-Ketosteryl oleate, Cholest-8(14)-en-3-yl-15-one oleate, 5alpha-Cholest-8(14)-en-3beta-ol-15-one oleate ester, [(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Technical Specifications
| Molecular Formula | C45H76O3 |
| Molecular Weight | 664.57947 g/mol |
| XLogP | 15.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 664.57947 Da |
| Heavy Atoms | 48 |
| Complexity | 1070.0 |
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1)CCC3=C4C(=O)C[C@@H]([C@]4(CC[C@@H]32)C)[C@H](C)CCCC(C)C)C |
| InChIKey | LRKJKOWMCBGBRK-YREAXYLSSA-N |
Chemical Property Profile of Cholest-8(14)-en-3-yl-15-one oleate
Property Insights of Cholest-8(14)-en-3-yl-15-one oleate
The XLogP value of 15.1 indicates that Cholest-8(14)-en-3-yl-15-one oleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Cholest-8(14)-en-3-yl-15-one oleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-8(14)-en-3-yl-15-one oleate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cholest-8(14)-en-3-yl-15-one oleate?
The CAS number of Cholest-8(14)-en-3-yl-15-one oleate is 112757-40-1.
What is the molecular formula of Cholest-8(14)-en-3-yl-15-one oleate?
The molecular formula of Cholest-8(14)-en-3-yl-15-one oleate is C45H76O3.
What is the molecular weight of Cholest-8(14)-en-3-yl-15-one oleate?
The molecular weight of Cholest-8(14)-en-3-yl-15-one oleate is 664.57947 g/mol.
Where can I buy Cholest-8(14)-en-3-yl-15-one oleate?
You can request a quote for Cholest-8(14)-en-3-yl-15-one oleate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cholest-8(14)-en-3-yl-15-one oleate?
Yes, CoreyChem provides custom synthesis services for Cholest-8(14)-en-3-yl-15-one oleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.