4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole
TL;DR: 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole (CAS 394237-20-8) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-5-methyl-3-phenyl-1H-pyrazole
Also Known As: BIM-0044428.P001, 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole, 4-(4-chlorophenyl)sulfanyl-5-methyl-3-phenyl-1H-pyrazole, F0755-0162, 4-chlorophenyl 3-methyl-5-phenyl-1H-pyrazol-4-yl sulfide
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 394237-20-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl |
| InChIKey | RYCPBVZPROEGIM-UHFFFAOYSA-N |
Product Overview
4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole (CAS 394237-20-8), with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-5-methyl-3-phenyl-1H-pyrazole.
Chemical Property Profile of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole
Property Insights of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole
The XLogP value of 5.0 indicates that 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole?
The CAS number of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole is 394237-20-8.
What is the molecular formula of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole?
The molecular formula of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole is C16H13ClN2S.
What is the molecular weight of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole?
The molecular weight of 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole is 300.05 g/mol.
Where can I buy 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole?
You can request a quote for 4-((4-chlorophenyl)thio)-3-methyl-5-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 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.