2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one
TL;DR: 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one (CAS 866155-34-2) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one
Also Known As: 2-(4-tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one, 2-[4-(tert-butyl)benzoyl]-4,4-dimethyl-1-phenyltetrahydro-3H-pyrazol-3-one, 2-(4-tert-butylbenzoyl)-4,4-dimethyl-1-phenyl-pyrazolidin-3-one, 2-[(4-tert-butylphenyl)carbonyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.4143 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 817.47076 |
Chemical Identifiers
| CAS Number | 866155-34-2 |
|---|---|
| SMILES | CC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3)C |
Product Overview
2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one (CAS 866155-34-2), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: 2-(4-tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one.
Chemical Property Profile of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one
Property Insights of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one
The XLogP value of 4.4143 indicates that 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one has 0 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 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The CAS number of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one is 866155-34-2.
What is the molecular formula of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The molecular formula of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one is C22H26N2O2.
What is the molecular weight of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The molecular weight of 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one is 350.20 g/mol.
Where can I buy 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one?
You can request a quote for 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylbenzoyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.