![1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one structure](/static/products/4231/423155-67-3.webp)
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
TL;DR: 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one (CAS 423155-67-3) is a chemical compound with molecular formula C19H16FN3O4S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(4-fluorophenoxy)ethanone
Also Known As: 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one, F1148-0087, 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(4-fluorophenoxy)ethanone, 1-(3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone, 1-[(4-fluorophenoxy)acetyl]-3,5-dimethyl-4-[(4-nitrophenyl)thio]-1H-pyrazole
| Molecular Formula | C19H16FN3O4S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 4.41764 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.08456 |
| Heavy Atoms | 28 |
| Complexity | 1016.908 |
Chemical Identifiers
| CAS Number | 423155-67-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)F)C)SC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one (CAS 423155-67-3), with molecular formula C19H16FN3O4S and molecular weight 401.08 g/mol. IUPAC: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(4-fluorophenoxy)ethanone.
Chemical Property Profile of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Property Insights of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
The XLogP value of 4.41764 indicates that 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one. Following Lipinski's Rule of Five, 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one has 0 hydrogen bond donor(s) and 6 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-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one?
The CAS number of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one is 423155-67-3.
What is the molecular formula of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one?
The molecular formula of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one is C19H16FN3O4S.
What is the molecular weight of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one?
The molecular weight of 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one is 401.08 g/mol.
Where can I buy 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one?
You can request a quote for 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.