Estetrol
TL;DR: Estetrol (CAS 15183-37-6) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
Also Known As: ESTETROL, Estetrol anhydrous, estetrolum, oestetrol, estell
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24O4 |
| Molecular Weight | 304.16745 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.16745 Da |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
| Melting Point | 233-236 |
| Boiling Point | 491.9±45.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H]([C@H]([C@@H]2O)O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | AJIPIJNNOJSSQC-NYLIRDPKSA-N |
Chemical Property Profile of Estetrol
Property Insights of Estetrol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estetrol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Estetrol. Following Lipinski's Rule of Five, Estetrol has 4 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 Estetrol?
The CAS number of Estetrol is 15183-37-6.
What is the molecular formula of Estetrol?
The molecular formula of Estetrol is C18H24O4.
What is the molecular weight of Estetrol?
The molecular weight of Estetrol is 304.16745 g/mol.
Where can I buy Estetrol?
You can request a quote for Estetrol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estetrol?
Yes, CoreyChem provides custom synthesis services for Estetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.