Cholesterol trans-Cinnamate
TL;DR: Cholesterol trans-Cinnamate (CAS 50305-81-2) is a chemical compound with molecular formula C36H52O2 and molecular weight 516.3967 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] 3-phenylprop-2-enoate
Also Known As: Cholesterol trans-Cinnamate, cholesterol cinnamate, Cholesteryl cinnamate, [(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] 3-phenylprop-2-enoate, (1R,3AS,3BS,7S,9AR,9BS,11AR)-9A,11A-DIMETHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-YL (2E)-3-PHENYLPROP-2-ENOATE
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C36H52O2 |
| Molecular Weight | 516.3967 g/mol |
| XLogP | 11.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.3967 Da |
| Heavy Atoms | 38 |
| Complexity | 878.0 |
| 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)C=CC5=CC=CC=C5)C)C |
| InChIKey | FESYLMLHRKCTFF-ZOJFKXTHSA-N |
Chemical Property Profile of Cholesterol trans-Cinnamate
Property Insights of Cholesterol trans-Cinnamate
The XLogP value of 11.2 indicates that Cholesterol trans-Cinnamate 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 trans-Cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesterol trans-Cinnamate 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 trans-Cinnamate?
The CAS number of Cholesterol trans-Cinnamate is 50305-81-2.
What is the molecular formula of Cholesterol trans-Cinnamate?
The molecular formula of Cholesterol trans-Cinnamate is C36H52O2.
What is the molecular weight of Cholesterol trans-Cinnamate?
The molecular weight of Cholesterol trans-Cinnamate is 516.3967 g/mol.
Where can I buy Cholesterol trans-Cinnamate?
You can request a quote for Cholesterol trans-Cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cholesterol trans-Cinnamate?
Yes, CoreyChem provides custom synthesis services for Cholesterol trans-Cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.