3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
TL;DR: 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole (CAS 957595-67-4) is a chemical compound with molecular formula C19H15FN2O2 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone
Also Known As: TimTec1_002479, N-Benzoylpyrazole deriv., 4, 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole, [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone, 3-[(2,4-dimethylphenyl)carbonyl]pyrazolyl 4-fluorophenyl ketone
| Molecular Formula | C19H15FN2O2 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.11176 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 957595-67-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)C2=NN(C=C2)C(=O)C3=CC=C(C=C3)F)C |
| InChIKey | XNRMQSNQFCESPA-UHFFFAOYSA-N |
Product Overview
3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole (CAS 957595-67-4), with molecular formula C19H15FN2O2 and molecular weight 322.11 g/mol. IUPAC: [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
Property Insights of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
The XLogP value of 4.3 indicates that 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole 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 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole?
The CAS number of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole is 957595-67-4.
What is the molecular formula of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole?
The molecular formula of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole is C19H15FN2O2.
What is the molecular weight of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole?
The molecular weight of 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole is 322.11 g/mol.
Where can I buy 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole?
You can request a quote for 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.