Estra-1,3,5(10),16-tetraene-3,17-diol diacetate
TL;DR: Estra-1,3,5(10),16-tetraene-3,17-diol diacetate (CAS 20592-42-1) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) acetate
Also Known As: Estrone enol diacetate, Estra-1,3,5(10),16-tetraene-3,17-diol diacetate, 1,3,5(10),16-Estratetraene-3,17-diol diacetate, Estra-1,5(10),16-tetraene-3,17-diol, diacetate, Estra-1(10),2,4,16-tetraene-3,17-diyl diacetate
Technical Specifications
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.1831 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.1831 Da |
| Heavy Atoms | 26 |
| Complexity | 624.0 |
| SMILES | CC(=O)OC1=CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C)C |
| InChIKey | KPJNGUPMJAHAND-UHFFFAOYSA-N |
Chemical Property Profile of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate
Property Insights of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate
The XLogP value of 4.5 indicates that Estra-1,3,5(10),16-tetraene-3,17-diol 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, Estra-1,3,5(10),16-tetraene-3,17-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10),16-tetraene-3,17-diol 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 Estra-1,3,5(10),16-tetraene-3,17-diol diacetate?
The CAS number of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate is 20592-42-1.
What is the molecular formula of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate?
The molecular formula of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate is C22H26O4.
What is the molecular weight of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate?
The molecular weight of Estra-1,3,5(10),16-tetraene-3,17-diol diacetate is 354.1831 g/mol.
Where can I buy Estra-1,3,5(10),16-tetraene-3,17-diol diacetate?
You can request a quote for Estra-1,3,5(10),16-tetraene-3,17-diol diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estra-1,3,5(10),16-tetraene-3,17-diol diacetate?
Yes, CoreyChem provides custom synthesis services for Estra-1,3,5(10),16-tetraene-3,17-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.