2-Fluoro-17-ethynylestradiol
TL;DR: 2-Fluoro-17-ethynylestradiol (CAS 22165-49-7) is a chemical compound with molecular formula C20H23FO2 and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-17-ethynyl-2-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 2-Fluoro-ethinylestradiol, 2-FEE2, 2-Fluoro-17-ethynylestradiol, 2-Fluoro-17, A-ethynylestradiol
| Molecular Formula | C20H23FO2 |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1682 |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 22165-49-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=C(C=C34)F)O |
| InChIKey | OYMVHYFNQJXFGQ-BKRJIHRRSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-17-ethynylestradiol (CAS 22165-49-7), with molecular formula C20H23FO2 and molecular weight 314.17 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethynyl-2-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 2-Fluoro-17-ethynylestradiol
Property Insights of 2-Fluoro-17-ethynylestradiol
The XLogP value of 3.8 indicates that 2-Fluoro-17-ethynylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Fluoro-17-ethynylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-17-ethynylestradiol 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
Frequently Asked Questions
What is the CAS number of 2-Fluoro-17-ethynylestradiol?
The CAS number of 2-Fluoro-17-ethynylestradiol is 22165-49-7.
What is the molecular formula of 2-Fluoro-17-ethynylestradiol?
The molecular formula of 2-Fluoro-17-ethynylestradiol is C20H23FO2.
What is the molecular weight of 2-Fluoro-17-ethynylestradiol?
The molecular weight of 2-Fluoro-17-ethynylestradiol is 314.17 g/mol.
Where can I buy 2-Fluoro-17-ethynylestradiol?
You can request a quote for 2-Fluoro-17-ethynylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-17-ethynylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-17-ethynylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.