16-Ketoestrone
TL;DR: 16-Ketoestrone (CAS 12534-29-1) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
Also Known As: 16-Ketoestrone, NCIOpen2_002428, 3-Hydroxyestra-1,3,5(10)-triene-16,17-dione, 3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
Technical Specifications
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.14124 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.14124 Da |
| Heavy Atoms | 21 |
| Complexity | 485.0 |
| SMILES | CC12CCC3C(C1CC(=O)C2=O)CCC4=C3C=CC(=C4)O |
| InChIKey | ANPHVANSJXDRTP-UHFFFAOYSA-N |
Chemical Property Profile of 16-Ketoestrone
Property Insights of 16-Ketoestrone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Ketoestrone. With a topological polar surface area (TPSA) of 54.4 Ų, 16-Ketoestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Ketoestrone has 1 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 16-Ketoestrone?
The CAS number of 16-Ketoestrone is 12534-29-1.
What is the molecular formula of 16-Ketoestrone?
The molecular formula of 16-Ketoestrone is C18H20O3.
What is the molecular weight of 16-Ketoestrone?
The molecular weight of 16-Ketoestrone is 284.14124 g/mol.
Where can I buy 16-Ketoestrone?
You can request a quote for 16-Ketoestrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16-Ketoestrone?
Yes, CoreyChem provides custom synthesis services for 16-Ketoestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.