3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-
TL;DR: 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- (CAS 5544-54-7) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxobutyl)-1-phenylpyrazolidine-3,5-dione
Also Known As: 1-Phenyl-3,5-dioxo-4-(3-oxobutyl)pyrazolidine, 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-, 4-(3-Oxobutyl)-1-phenyl-3,5-pyrazolidinedione, 1-Fenyl-3,5-dioxo-4-(3-oxobutyl)pyrazolidin, 1-Phenyl-3,5-dioxo-4-(3-oxobutyl)pyrazolidin
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 5544-54-7 |
|---|---|
| SMILES | CC(=O)CCC1C(=O)NN(C1=O)C2=CC=CC=C2 |
| InChIKey | UNSXTSWFANVYMR-UHFFFAOYSA-N |
Product Overview
3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- (CAS 5544-54-7), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 4-(3-oxobutyl)-1-phenylpyrazolidine-3,5-dione.
Chemical Property Profile of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-
Property Insights of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-. Following Lipinski's Rule of Five, 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- 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
Frequently Asked Questions
What is the CAS number of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-?
The CAS number of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- is 5544-54-7.
What is the molecular formula of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-?
The molecular formula of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- is C13H14N2O3.
What is the molecular weight of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-?
The molecular weight of 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- is 246.10 g/mol.
Where can I buy 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-?
You can request a quote for 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyrazolidinedione, 4-(3-oxobutyl)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.