![1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/6533/6533-97-7.webp)
1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 6533-97-7) is a chemical compound with molecular formula C23H16FN3O4S and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorobenzoyl)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one
Also Known As: 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 1-(2-fluorobenzoyl)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one, 1-(2-fluorobenzoyl)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one
| Molecular Formula | C23H16FN3O4S |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 4.83442 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.08456 |
| Heavy Atoms | 32 |
| Complexity | 1396.1245 |
Chemical Identifiers
| CAS Number | 6533-97-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C(=O)C2=CC=CC=C2F)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 6533-97-7), with molecular formula C23H16FN3O4S and molecular weight 449.08 g/mol. IUPAC: 1-(2-fluorobenzoyl)-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 4.83442 indicates that 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 5 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 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 6533-97-7.
What is the molecular formula of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is C23H16FN3O4S.
What is the molecular weight of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 449.08 g/mol.
Where can I buy 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Fluorobenzoyl)-5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.