![1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate structure](/static/products/6235/6235-62-7.webp)
1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate
TL;DR: 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate (CAS 6235-62-7) is a chemical compound with molecular formula C21H16F6N2O2S and molecular weight 474.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-tert-butyl-3-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-5-yl] 2-fluorobenzoate
Also Known As: 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate, [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-3-yl] 2-fluorobenzoate, [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-tert-butyl-pyrazol-3-yl] 2-fluorobenzoate
| Molecular Formula | C21H16F6N2O2S |
|---|---|
| Molecular Weight | 474.08 g/mol |
| LogP | 6.15152 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.08368 |
| Heavy Atoms | 32 |
| Complexity | 1190.9696 |
Chemical Identifiers
| CAS Number | 6235-62-7 |
|---|---|
| SMILES | CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=CC=C3F)C(C)(C)C |
Product Overview
1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate (CAS 6235-62-7), with molecular formula C21H16F6N2O2S and molecular weight 474.08 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-5-yl] 2-fluorobenzoate.
Chemical Property Profile of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate
Property Insights of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate
The XLogP value of 6.15152 indicates that 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate has 0 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-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate?
The CAS number of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is 6235-62-7.
What is the molecular formula of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate?
The molecular formula of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is C21H16F6N2O2S.
What is the molecular weight of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate?
The molecular weight of 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate is 474.08 g/mol.
Where can I buy 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate?
You can request a quote for 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.