![[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate structure](/static/products/3182/318239-55-3.webp)
[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate
TL;DR: [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate (CAS 318239-55-3) is a chemical compound with molecular formula C14H13F3N2O2S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate
Also Known As: [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate|KS-00001WE6|[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate|[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylacetate|MLS000546268|MFCD00172638|SMR000169438
| Molecular Formula | C14H13F3N2O2S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.6532 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.06497 |
| Heavy Atoms | 22 |
| Complexity | 668.7177 |
Chemical Identifiers
| CAS Number | 318239-55-3 |
|---|---|
| SMILES | CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)SC2=CC=CC=C2 |
Product Overview
[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate (CAS 318239-55-3), with molecular formula C14H13F3N2O2S and molecular weight 330.06 g/mol. IUPAC: [1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate.
Chemical Property Profile of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate
Property Insights of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate
The XLogP value of 3.6532 indicates that [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate 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-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate has 0 hydrogen bond donor(s) and 4 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-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate?
The CAS number of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is 318239-55-3.
What is the molecular formula of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate?
The molecular formula of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is C14H13F3N2O2S.
What is the molecular weight of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate?
The molecular weight of [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate is 330.06 g/mol.
Where can I buy [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate?
You can request a quote for [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.