4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole
TL;DR: 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole (CAS 394236-62-5) is a chemical compound with molecular formula C17H15BrN2S and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfanyl-3,5-dimethyl-1-phenylpyrazole
Also Known As: DivK1c_005784, CDS1_004744, BIM-0036600.P001, 4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1-phenyl-1H-pyrazole, 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole
| Molecular Formula | C17H15BrN2S |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 5.40284 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.01392 |
| Heavy Atoms | 21 |
| Complexity | 748.4662 |
Chemical Identifiers
| CAS Number | 394236-62-5 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=C(C=C3)Br |
Product Overview
4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole (CAS 394236-62-5), with molecular formula C17H15BrN2S and molecular weight 358.01 g/mol. IUPAC: 4-(4-bromophenyl)sulfanyl-3,5-dimethyl-1-phenylpyrazole.
Chemical Property Profile of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole
Property Insights of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole
The XLogP value of 5.40284 indicates that 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole?
The CAS number of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole is 394236-62-5.
What is the molecular formula of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole?
The molecular formula of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole is C17H15BrN2S.
What is the molecular weight of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole?
The molecular weight of 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole is 358.01 g/mol.
Where can I buy 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole?
You can request a quote for 4-((4-bromophenyl)thio)-3,5-dimethyl-1-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-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-bromophenyl)thio)-3,5-dimethyl-1-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.