Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate
TL;DR: Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate (CAS 66791-46-6) is a chemical compound with molecular formula C28H40O3 and molecular weight 424.29776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-cyclooctylacetate
Also Known As: 17-Estradiol cyclooctyl acetate, E2-COOA, Estradiol cyclooctyl acetate, Estradiol 17beta-cyclooctylacetate, KST-1A7505
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H40O3 |
| Molecular Weight | 424.29776 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.29776 Da |
| Heavy Atoms | 31 |
| Complexity | 624.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CC4CCCCCCC4)CCC5=C3C=CC(=C5)O |
| InChIKey | CZCGBAHDFURTGU-VMBLQBCYSA-N |
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate
Property Insights of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate
The XLogP value of 8.3 indicates that Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate has 1 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 Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate is 66791-46-6.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate is C28H40O3.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate is 424.29776 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate?
Yes, CoreyChem provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclooctaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.