3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene
TL;DR: 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene (CAS 113561-34-5) is a chemical compound with molecular formula C22H20O3 and molecular weight 332.14124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,2-dimethylpropanoyl)-3a-hydroxy-3H-cyclopenta[l]phenanthren-2-one
Also Known As: 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene, 1,11b-Dihydro-3-(2,2-dimethyl-1-oxopropyl)-11b-hydroxy-2H-cyclopenta(l)phenanthren-2-one, 2H-Cyclopenta(l)phenanthren-2-one, 1,11b-dihydro-3-(2,2-dimethyl-1-oxopropyl)-11b-hydroxy-, 1-(2,2-dimethylpropanoyl)-3a-hydroxy-3H-cyclopenta[l]phenanthren-2-one, 1-(2,2-dimethylpropanoyl)-4-hydroxy-3,4-dihydrocyclopenta[l]phenanthren-2-one
Technical Specifications
| Molecular Formula | C22H20O3 |
| Molecular Weight | 332.14124 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.14124 Da |
| Heavy Atoms | 25 |
| Complexity | 638.0 |
| SMILES | CC(C)(C)C(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2(CC1=O)O |
| InChIKey | JURABNDMRREYSO-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene
Property Insights of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene
The XLogP value of 3.1 indicates that 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene 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 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene?
The CAS number of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene is 113561-34-5.
What is the molecular formula of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene?
The molecular formula of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene is C22H20O3.
What is the molecular weight of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene?
The molecular weight of 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene is 332.14124 g/mol.
Where can I buy 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene?
You can request a quote for 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydro-1-pivaloyl-2-oxo-4-hydroxycyclopenta(l)phenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.