![[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate structure](/static/products/956/956184-45-5.png)
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
TL;DR: [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate (CAS 956184-45-5) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
Also Known As: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate|2-[2-(Methylsulfanyl)anilino]-2-oxoethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate|MLS002249101|SMR001316550
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 4.00654 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 996.3853 |
Chemical Identifiers
| CAS Number | 956184-45-5 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC)C |
Product Overview
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate (CAS 956184-45-5), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate.
Chemical Property Profile of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
Property Insights of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
The XLogP value of 4.00654 indicates that [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate. Following Lipinski's Rule of Five, [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate has 1 hydrogen bond donor(s) and 5 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 [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The CAS number of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate is 956184-45-5.
What is the molecular formula of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The molecular formula of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate is C21H21N3O3S.
What is the molecular weight of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The molecular weight of [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate is 395.13 g/mol.
Where can I buy [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
You can request a quote for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.