17-Ethynyl-16-fluoroestradiol
TL;DR: 17-Ethynyl-16-fluoroestradiol (CAS 92817-14-6) is a chemical compound with molecular formula C20H23FO2 and molecular weight 314.1682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17-Ethynyl-fes, 17-Ethynyl-16-fluoroestradiol, 17-Ethynyl-16alpha-fluoro-17beta-estradiol, (8R,9S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, 16-Fluoro-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol
Technical Specifications
| Molecular Formula | C20H23FO2 |
| Molecular Weight | 314.1682 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1682 Da |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)F)CCC4=C3C=CC(=C4)O |
| InChIKey | IFDRGXJMFGLUCN-NADOGSGZSA-N |
Chemical Property Profile of 17-Ethynyl-16-fluoroestradiol
Property Insights of 17-Ethynyl-16-fluoroestradiol
The XLogP value of 3.7 indicates that 17-Ethynyl-16-fluoroestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17-Ethynyl-16-fluoroestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Ethynyl-16-fluoroestradiol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 17-Ethynyl-16-fluoroestradiol?
The CAS number of 17-Ethynyl-16-fluoroestradiol is 92817-14-6.
What is the molecular formula of 17-Ethynyl-16-fluoroestradiol?
The molecular formula of 17-Ethynyl-16-fluoroestradiol is C20H23FO2.
What is the molecular weight of 17-Ethynyl-16-fluoroestradiol?
The molecular weight of 17-Ethynyl-16-fluoroestradiol is 314.1682 g/mol.
Where can I buy 17-Ethynyl-16-fluoroestradiol?
You can request a quote for 17-Ethynyl-16-fluoroestradiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17-Ethynyl-16-fluoroestradiol?
Yes, CoreyChem provides custom synthesis services for 17-Ethynyl-16-fluoroestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.