7-Ketocholesteryl-3-oleate
TL;DR: 7-Ketocholesteryl-3-oleate (CAS 145889-56-1) 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,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: 7-Ketocholesteryl-3-oleate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Technical Specifications
| Molecular Formula | C45H76O3 |
| Molecular Weight | 664.57947 g/mol |
| XLogP | 15.5 |
| 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 | 1050.0 |
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | ISBJKIMEDSBZAJ-WIIUZAFWSA-N |
Chemical Property Profile of 7-Ketocholesteryl-3-oleate
Property Insights of 7-Ketocholesteryl-3-oleate
The XLogP value of 15.5 indicates that 7-Ketocholesteryl-3-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, 7-Ketocholesteryl-3-oleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ketocholesteryl-3-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 7-Ketocholesteryl-3-oleate?
The CAS number of 7-Ketocholesteryl-3-oleate is 145889-56-1.
What is the molecular formula of 7-Ketocholesteryl-3-oleate?
The molecular formula of 7-Ketocholesteryl-3-oleate is C45H76O3.
What is the molecular weight of 7-Ketocholesteryl-3-oleate?
The molecular weight of 7-Ketocholesteryl-3-oleate is 664.57947 g/mol.
Where can I buy 7-Ketocholesteryl-3-oleate?
You can request a quote for 7-Ketocholesteryl-3-oleate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Ketocholesteryl-3-oleate?
Yes, CoreyChem provides custom synthesis services for 7-Ketocholesteryl-3-oleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.