Estradiol 17-octanoate
TL;DR: Estradiol 17-octanoate (CAS 63042-22-8) is a chemical compound with molecular formula C26H38O3 and molecular weight 398.2821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate
Also Known As: Estradiol 17-octanoate, Caprylate d'oestradiol [French], ESTRADIOL, 17-CAPRYLATE, Estra-1,3,5(10)-triene-3,17beta-diol 17-octanoate, 3-Hydroxyestra-1(10),2,4-trien-17-yl octanoate
Technical Specifications
| Molecular Formula | C26H38O3 |
| Molecular Weight | 398.2821 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.2821 Da |
| Heavy Atoms | 29 |
| Complexity | 560.0 |
| SMILES | CCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C |
| InChIKey | VJJJFYBJSXJBPB-UHFFFAOYSA-N |
Chemical Property Profile of Estradiol 17-octanoate
Property Insights of Estradiol 17-octanoate
The XLogP value of 7.6 indicates that Estradiol 17-octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Estradiol 17-octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol 17-octanoate 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 Estradiol 17-octanoate?
The CAS number of Estradiol 17-octanoate is 63042-22-8.
What is the molecular formula of Estradiol 17-octanoate?
The molecular formula of Estradiol 17-octanoate is C26H38O3.
What is the molecular weight of Estradiol 17-octanoate?
The molecular weight of Estradiol 17-octanoate is 398.2821 g/mol.
Where can I buy Estradiol 17-octanoate?
You can request a quote for Estradiol 17-octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estradiol 17-octanoate?
Yes, CoreyChem provides custom synthesis services for Estradiol 17-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.