Ethynyl Estradiol Diacetate
TL;DR: Ethynyl Estradiol Diacetate (CAS 13258-68-9) is a chemical compound with molecular formula C24H28O4 and molecular weight 380.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: Ethynyl Estradiol Diacetate, (17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
Technical Specifications
| Molecular Formula | C24H28O4 |
| Molecular Weight | 380.19876 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.19876 Da |
| Heavy Atoms | 28 |
| Complexity | 705.0 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4(C#C)OC(=O)C)C |
| InChIKey | UQWZWQYTKPEDAK-UHFFFAOYSA-N |
Chemical Property Profile of Ethynyl Estradiol Diacetate
Property Insights of Ethynyl Estradiol Diacetate
The XLogP value of 4.4 indicates that Ethynyl Estradiol Diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethynyl Estradiol Diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynyl Estradiol Diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethynyl Estradiol Diacetate?
The CAS number of Ethynyl Estradiol Diacetate is 13258-68-9.
What is the molecular formula of Ethynyl Estradiol Diacetate?
The molecular formula of Ethynyl Estradiol Diacetate is C24H28O4.
What is the molecular weight of Ethynyl Estradiol Diacetate?
The molecular weight of Ethynyl Estradiol Diacetate is 380.19876 g/mol.
Where can I buy Ethynyl Estradiol Diacetate?
You can request a quote for Ethynyl Estradiol Diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethynyl Estradiol Diacetate?
Yes, CoreyChem provides custom synthesis services for Ethynyl Estradiol Diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.