17beta-Ethinylestradiol
TL;DR: 17beta-Ethinylestradiol (CAS 4717-38-8) is a chemical compound with molecular formula C20H24O2 and molecular weight 296.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17-epi-Ethynyl Estradiol, 17beta-ethinylestradiol, etinylestradiol, ethinyl estradiol, 17-epi-Ethynylestradiol
| Molecular Formula | C20H24O2 |
|---|---|
| Molecular Weight | 296.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.17764 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 4717-38-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | BFPYWIDHMRZLRN-SWBPCFCJSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17beta-Ethinylestradiol (CAS 4717-38-8), with molecular formula C20H24O2 and molecular weight 296.18 g/mol. IUPAC: (8R,9S,13S,14S,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17beta-Ethinylestradiol
Property Insights of 17beta-Ethinylestradiol
The XLogP value of 3.7 indicates that 17beta-Ethinylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17beta-Ethinylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Ethinylestradiol has 2 hydrogen bond donor(s) and 2 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 17beta-Ethinylestradiol?
The CAS number of 17beta-Ethinylestradiol is 4717-38-8.
What is the molecular formula of 17beta-Ethinylestradiol?
The molecular formula of 17beta-Ethinylestradiol is C20H24O2.
What is the molecular weight of 17beta-Ethinylestradiol?
The molecular weight of 17beta-Ethinylestradiol is 296.18 g/mol.
Where can I buy 17beta-Ethinylestradiol?
You can request a quote for 17beta-Ethinylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Ethinylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Ethinylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.