Cholesterol isocaproate
TL;DR: Cholesterol isocaproate (CAS 1422729-37-0) is a chemical compound with molecular formula C33H56O2 and molecular weight 484.42804 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]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylpentanoate
Also Known As: Cholesterol isocaproate, Cholesteryl 3-isocaproate, Cholest-5-en-3beta-yl 4-methylpentanoate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylpentanoate
Technical Specifications
| Molecular Formula | C33H56O2 |
| Molecular Weight | 484.42804 g/mol |
| XLogP | 10.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.42804 Da |
| Heavy Atoms | 35 |
| Complexity | 765.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(C)C)C)C |
| InChIKey | VHRIXMXSBYDCAY-FLFWOSPYSA-N |
Chemical Property Profile of Cholesterol isocaproate
Property Insights of Cholesterol isocaproate
The XLogP value of 10.7 indicates that Cholesterol isocaproate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesterol isocaproate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesterol isocaproate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cholesterol isocaproate?
The CAS number of Cholesterol isocaproate is 1422729-37-0.
What is the molecular formula of Cholesterol isocaproate?
The molecular formula of Cholesterol isocaproate is C33H56O2.
What is the molecular weight of Cholesterol isocaproate?
The molecular weight of Cholesterol isocaproate is 484.42804 g/mol.
Where can I buy Cholesterol isocaproate?
You can request a quote for Cholesterol isocaproate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cholesterol isocaproate?
Yes, CoreyChem provides custom synthesis services for Cholesterol isocaproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.