3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
TL;DR: 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CAS 836652-37-0) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
Also Known As: 5-(1,3-benzodioxol-5-yl)-1-mesyl-3-(p-tolyl)-2-pyrazoline, 5-Benzo[1,3]dioxol-5-yl-1-methanesulfonyl-3-p-tolyl-4,5-dihydro-1H-pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole, 5-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole, 5-(benzo[d][1,3]dioxol-5-yl)-1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.83442 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 951.5414 |
Chemical Identifiers
| CAS Number | 836652-37-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C |
Product Overview
3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CAS 836652-37-0), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
Property Insights of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
The XLogP value of 2.83442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole has 0 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 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is 836652-37-0.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is C18H18N2O4S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is 358.10 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.