![1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one structure](/static/products/5367/536702-12-2.webp)
1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one
TL;DR: 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one (CAS 536702-12-2) is a chemical compound with molecular formula C27H24FN3O2S and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanone
Also Known As: 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one, 1-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((2-methyl-1H-indol-3-yl)thio)ethanone, 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanone, 1-[5-(p-fluorophenyl)-3-(p-methoxyphenyl)-2-pyrazolin-1-yl]-2-(2-methyl-3-indolylthio)-1-ethanone
| Molecular Formula | C27H24FN3O2S |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 6.09402 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.15732 |
| Heavy Atoms | 34 |
| Complexity | 1363.1665 |
Chemical Identifiers
| CAS Number | 536702-12-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)F |
Product Overview
1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one (CAS 536702-12-2), with molecular formula C27H24FN3O2S and molecular weight 473.16 g/mol. IUPAC: 1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one
Property Insights of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one
The XLogP value of 6.09402 indicates that 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one?
The CAS number of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one is 536702-12-2.
What is the molecular formula of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one?
The molecular formula of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one is C27H24FN3O2S.
What is the molecular weight of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one?
The molecular weight of 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one is 473.16 g/mol.
Where can I buy 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one?
You can request a quote for 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]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-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.