3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-
TL;DR: 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- (CAS 100135-00-0) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-4-propan-2-ylpyrazolidine-3,5-dione
Also Known As: 4-Isopropyl-1-phenyl-3,5-pyrazolidinedione, 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-, 4-Isopropyl-1-phenyl-3,5-dioxopyrazolidine, 1-phenyl-4-propan-2-ylpyrazolidine-3,5-dione, 4-24-00-01111 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| SMILES | CC(C)C1C(=O)NN(C1=O)C2=CC=CC=C2 |
| InChIKey | JIPBINSRJUDMTK-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-
Property Insights of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-. With a topological polar surface area (TPSA) of 49.4 Ų, 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-?
The CAS number of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- is 100135-00-0.
What is the molecular formula of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-?
The molecular formula of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- is C12H14N2O2.
What is the molecular weight of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-?
The molecular weight of 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- is 218.10553 g/mol.
Where can I buy 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-?
You can request a quote for 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-?
Yes, CoreyChem provides custom synthesis services for 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.