16-Fluoroestradiol
TL;DR: 16-Fluoroestradiol (CAS 84693-92-5) is a chemical compound with molecular formula C18H23FO2 and molecular weight 290.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16S,17R)-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 16-Fluoroestradiol, 16beta-Fluoroestradiol, 16alpha-Fluoroestradiol, 16 beta-fluoroestradiol, 16 alpha-fluoroestradiol
| Molecular Formula | C18H23FO2 |
|---|---|
| Molecular Weight | 290.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.1682 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 84693-92-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)F)CCC4=C3C=CC(=C4)O |
| InChIKey | KDLLNMRYZGUVMA-ZMSHIADSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16-Fluoroestradiol (CAS 84693-92-5), with molecular formula C18H23FO2 and molecular weight 290.17 g/mol. IUPAC: (8R,9S,13S,14S,16S,17R)-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 16-Fluoroestradiol
Property Insights of 16-Fluoroestradiol
The XLogP value of 3.5 indicates that 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, 16-Fluoroestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of 16-Fluoroestradiol?
The CAS number of 16-Fluoroestradiol is 84693-92-5.
What is the molecular formula of 16-Fluoroestradiol?
The molecular formula of 16-Fluoroestradiol is C18H23FO2.
What is the molecular weight of 16-Fluoroestradiol?
The molecular weight of 16-Fluoroestradiol is 290.17 g/mol.
Where can I buy 16-Fluoroestradiol?
You can request a quote for 16-Fluoroestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Fluoroestradiol?
Yes, KEHONG BIO provides custom synthesis services for 16-Fluoroestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.