![[5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate structure](/static/products/6235/6235-23-0.webp)
[5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate
TL;DR: [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate (CAS 6235-23-0) is a chemical compound with molecular formula C27H21F5N2O2S and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1-phenylpyrazol-5-yl] 4-tert-butylbenzoate
Also Known As: [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate|1-Anthracenecarboxylicacid, 5,6,7,8-tetraethyl-9,10-dihydro-10-methyl-|3-Methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 4-tert-butylbenzoate|[5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-tert-butylbenzoate
| Molecular Formula | C27H21F5N2O2S |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | 7.54412 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.1244 |
| Heavy Atoms | 37 |
| Complexity | 1450.9053 |
Chemical Identifiers
| CAS Number | 6235-23-0 |
|---|---|
| SMILES | CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4 |
Product Overview
[5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate (CAS 6235-23-0), with molecular formula C27H21F5N2O2S and molecular weight 532.12 g/mol. IUPAC: [3-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1-phenylpyrazol-5-yl] 4-tert-butylbenzoate.
Chemical Property Profile of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate
Property Insights of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate
The XLogP value of 7.54412 indicates that [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate 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 [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate?
The CAS number of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate is 6235-23-0.
What is the molecular formula of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate?
The molecular formula of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate is C27H21F5N2O2S.
What is the molecular weight of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate?
The molecular weight of [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate is 532.12 g/mol.
Where can I buy [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate?
You can request a quote for [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.