![[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate structure](/static/products/933/93350-66-4.png)
[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate
TL;DR: [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate (CAS 93350-66-4) is a chemical compound with molecular formula C13H13N2O2S- and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate
Also Known As: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate, [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate
| Molecular Formula | C13H13N2O2S- |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.33114 |
| Topological Polar Surface Area | 57.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.06976 |
| Heavy Atoms | 18 |
| Complexity | 563.87024 |
Chemical Identifiers
| CAS Number | 93350-66-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)[O-] |
Product Overview
[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate (CAS 93350-66-4), with molecular formula C13H13N2O2S- and molecular weight 261.07 g/mol. IUPAC: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate.
Chemical Property Profile of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate
Property Insights of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate
The XLogP value of 1.33114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 57.95 Ų, [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]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 [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate?
The CAS number of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate is 93350-66-4.
What is the molecular formula of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate?
The molecular formula of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate is C13H13N2O2S-.
What is the molecular weight of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate?
The molecular weight of [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate is 261.07 g/mol.
Where can I buy [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate?
You can request a quote for [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for [(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.