3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole
TL;DR: 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole (CAS 13399-90-1) is a chemical compound with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-(4-ethenylsulfonylphenyl)-3,4-dihydropyrazole
Also Known As: 5-(4-chlorophenyl)-2-(4-ethenylsulfonylphenyl)-3,4-dihydropyrazole, 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(vinylsulphonyl)phenyl]-1H-pyrazole, 1-(p-vinylsulfonylphenyl)-3-(p-chlorophenyl)-2-pyrazoline, 3-(4-chlorophenyl)-1-[4-(ethenesulfonyl)phenyl]-4,5-dihydro-1H-pyrazole
| Molecular Formula | C17H15ClN2O2S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0543 |
| Heavy Atoms | 23 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 13399-90-1 |
|---|---|
| SMILES | C=CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | VROWPEGBLSFFIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole (CAS 13399-90-1), with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol. IUPAC: 5-(4-chlorophenyl)-2-(4-ethenylsulfonylphenyl)-3,4-dihydropyrazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole
Property Insights of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole
The XLogP value of 3.8 indicates that 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole 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-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole?
The CAS number of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole is 13399-90-1.
What is the molecular formula of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole?
The molecular formula of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole is C17H15ClN2O2S.
What is the molecular weight of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole?
The molecular weight of 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole is 346.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole?
You can request a quote for 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.