4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine
TL;DR: 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine (CAS 24428-78-2) is a chemical compound with molecular formula C26H22N2O2S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenylpyrazol-3-one
Also Known As: 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine
| Molecular Formula | C26H22N2O2S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1402 |
| Heavy Atoms | 31 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 24428-78-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=CC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4 |
| InChIKey | ZUPIYKXCSQKIJK-UHFFFAOYSA-N |
Product Overview
4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine (CAS 24428-78-2), with molecular formula C26H22N2O2S and molecular weight 426.14 g/mol. IUPAC: 1,5-dimethyl-4-[3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine
Property Insights of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine
The XLogP value of 4.5 indicates that 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine. Following Lipinski's Rule of Five, 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine 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 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine?
The CAS number of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine is 24428-78-2.
What is the molecular formula of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine?
The molecular formula of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine is C26H22N2O2S.
What is the molecular weight of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine?
The molecular weight of 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine is 426.14 g/mol.
Where can I buy 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine?
You can request a quote for 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.