11-Ethyl-16-fluoroestradiol
TL;DR: 11-Ethyl-16-fluoroestradiol (CAS 129000-39-1) is a chemical compound with molecular formula C20H27FO2 and molecular weight 318.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,11S,13S,14S,16R,17R)-11-ethyl-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 11-Et-Fes, 11-Ethyl-16-fluoroestradiol, KST-1A1044, 11beta-ethyl-16alpha-fluoro-estradiol, 11beta-Ethyl-16alpha-fluoro-17beta-estradiol
| Molecular Formula | C20H27FO2 |
|---|---|
| Molecular Weight | 318.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.1995 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 129000-39-1 |
|---|---|
| SMILES | CC[C@H]1C[C@]2([C@@H](C[C@H]([C@@H]2O)F)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C |
| InChIKey | BLLQFETUFOJMGB-PVPZMVGNSA-N |
Product Overview
11-Ethyl-16-fluoroestradiol (CAS 129000-39-1), with molecular formula C20H27FO2 and molecular weight 318.20 g/mol. IUPAC: (8S,9S,11S,13S,14S,16R,17R)-11-ethyl-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 11-Ethyl-16-fluoroestradiol
Property Insights of 11-Ethyl-16-fluoroestradiol
The XLogP value of 4.3 indicates that 11-Ethyl-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, 11-Ethyl-16-fluoroestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Ethyl-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 11-Ethyl-16-fluoroestradiol?
The CAS number of 11-Ethyl-16-fluoroestradiol is 129000-39-1.
What is the molecular formula of 11-Ethyl-16-fluoroestradiol?
The molecular formula of 11-Ethyl-16-fluoroestradiol is C20H27FO2.
What is the molecular weight of 11-Ethyl-16-fluoroestradiol?
The molecular weight of 11-Ethyl-16-fluoroestradiol is 318.20 g/mol.
Where can I buy 11-Ethyl-16-fluoroestradiol?
You can request a quote for 11-Ethyl-16-fluoroestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Ethyl-16-fluoroestradiol?
Yes, KEHONG BIO provides custom synthesis services for 11-Ethyl-16-fluoroestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.