4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile
TL;DR: 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile (CAS 866155-37-5) is a chemical compound with molecular formula C19H17N3O2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,4-dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile
Also Known As: 4-(4,4-dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile, 4-[(4,4-dimethyl-5-oxo-2-phenyltetrahydro-1H-pyrazol-1-yl)carbonyl]benzenecarbonitrile, 4-(5-keto-4,4-dimethyl-2-phenyl-pyrazolidine-1-carbonyl)benzonitrile, 4-[(4,4-dimethyl-5-oxo-2-phenyl-1-pyrazolidinyl)-oxomethyl]benzonitrile, 4-(4,4-dimethyl-5-oxidanylidene-2-phenyl-pyrazolidin-1-yl)carbonylbenzenecarbonitrile
| Molecular Formula | C19H17N3O2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 2.98848 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.13208 |
| Heavy Atoms | 24 |
| Complexity | 819.9404 |
Chemical Identifiers
| CAS Number | 866155-37-5 |
|---|---|
| SMILES | CC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3)C |
Product Overview
4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile (CAS 866155-37-5), with molecular formula C19H17N3O2 and molecular weight 319.13 g/mol. IUPAC: 4-(4,4-dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile.
Chemical Property Profile of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile
Property Insights of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile
The XLogP value of 2.98848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile. Following Lipinski's Rule of Five, 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile has 0 hydrogen bond donor(s) and 4 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 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile?
The CAS number of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile is 866155-37-5.
What is the molecular formula of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile?
The molecular formula of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile is C19H17N3O2.
What is the molecular weight of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile?
The molecular weight of 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile is 319.13 g/mol.
Where can I buy 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile?
You can request a quote for 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,4-Dimethyl-5-oxo-2-phenylpyrazolidine-1-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.