5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole
TL;DR: 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole (CAS 318239-56-4) is a chemical compound with molecular formula C12H10BrF3N2OS and molecular weight 365.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
Also Known As: Bionet1_000921, 5-(4-bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole, 4G-353S, [5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]methanol, (5-((4-Bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
| Molecular Formula | C12H10BrF3N2OS |
|---|---|
| Molecular Weight | 365.96 g/mol |
| LogP | 3.8449 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.96494 |
| Heavy Atoms | 20 |
| Complexity | 610.4004 |
Chemical Identifiers
| CAS Number | 318239-56-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CO)SC2=CC=C(C=C2)Br |
Product Overview
5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole (CAS 318239-56-4), with molecular formula C12H10BrF3N2OS and molecular weight 365.96 g/mol. IUPAC: [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
Chemical Property Profile of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole
Property Insights of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole
The XLogP value of 3.8449 indicates that 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.05 Ų, 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole has 1 hydrogen bond donor(s) and 3 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 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole?
The CAS number of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole is 318239-56-4.
What is the molecular formula of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole?
The molecular formula of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole is C12H10BrF3N2OS.
What is the molecular weight of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole?
The molecular weight of 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole is 365.96 g/mol.
Where can I buy 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole?
You can request a quote for 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.