(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
TL;DR: (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone (CAS 425412-23-3) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: DivK1c_005916, CDS1_004876, BIM-0036604.P001, 3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole, F1148-0020
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.67386 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 1016.7061 |
Chemical Identifiers
| CAS Number | 425412-23-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C |
Product Overview
(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone (CAS 425412-23-3), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: [3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
Property Insights of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
The XLogP value of 4.67386 indicates that (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone. Following Lipinski's Rule of Five, (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone has 0 hydrogen bond donor(s) and 6 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-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The CAS number of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is 425412-23-3.
What is the molecular formula of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The molecular formula of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is C22H24N2O4S.
What is the molecular weight of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The molecular weight of (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is 412.15 g/mol.
Where can I buy (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
You can request a quote for (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone 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-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.