5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole
TL;DR: 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CAS 342013-53-0) is a chemical compound with molecular formula C23H17FN2O3 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone
Also Known As: AN-023/13586092, [3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone, 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole, (5-(benzo[d][1,3]dioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-fluorophenyl)methanone
| Molecular Formula | C23H17FN2O3 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 4.5459 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1223 |
| Heavy Atoms | 29 |
| Complexity | 1096.8656 |
Chemical Identifiers
| CAS Number | 342013-53-0 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5 |
Product Overview
5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CAS 342013-53-0), with molecular formula C23H17FN2O3 and molecular weight 388.12 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole
Property Insights of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole
The XLogP value of 4.5459 indicates that 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-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 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The CAS number of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole is 342013-53-0.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole is C23H17FN2O3.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole is 388.12 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
You can request a quote for 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.