4-Hydroxyethynylestradiol
TL;DR: 4-Hydroxyethynylestradiol (CAS 50394-90-6) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-triol
Also Known As: 4-Hydroxy Ethynyl Estradiol, 4-Hydroxyethynylestradiol, (17alpha)-, 19-Norpregna-1,3,5(10)-trien-20-yne-3,4,17alpha-triol, (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-triol
Technical Specifications
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.17255 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.17255 Da |
| Heavy Atoms | 23 |
| Complexity | 536.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4O)O |
| InChIKey | SYFHJXSYRPNSOI-DFJNYNKPSA-N |
Chemical Property Profile of 4-Hydroxyethynylestradiol
Property Insights of 4-Hydroxyethynylestradiol
The XLogP value of 3.3 indicates that 4-Hydroxyethynylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyethynylestradiol. Following Lipinski's Rule of Five, 4-Hydroxyethynylestradiol has 3 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 4-Hydroxyethynylestradiol?
The CAS number of 4-Hydroxyethynylestradiol is 50394-90-6.
What is the molecular formula of 4-Hydroxyethynylestradiol?
The molecular formula of 4-Hydroxyethynylestradiol is C20H24O3.
What is the molecular weight of 4-Hydroxyethynylestradiol?
The molecular weight of 4-Hydroxyethynylestradiol is 312.17255 g/mol.
Where can I buy 4-Hydroxyethynylestradiol?
You can request a quote for 4-Hydroxyethynylestradiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxyethynylestradiol?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxyethynylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.