![5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime structure](/static/products/3219/321998-39-4.webp)
5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime
TL;DR: 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime (CAS 321998-39-4) is a chemical compound with molecular formula C17H14BrN3OS and molecular weight 387.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methylidene]hydroxylamine
Also Known As: Bionet1_002644, 5-[(4-bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde oxime, 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime, N-[[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methylidene]hydroxylamine, N-({5-[(4-Bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methylidene)hydroxylamine
| Molecular Formula | C17H14BrN3OS |
|---|---|
| Molecular Weight | 387.00 g/mol |
| LogP | 4.8089 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0041 |
| Heavy Atoms | 23 |
| Complexity | 829.04974 |
Chemical Identifiers
| CAS Number | 321998-39-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C=NO)SC3=CC=C(C=C3)Br |
Product Overview
5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime (CAS 321998-39-4), with molecular formula C17H14BrN3OS and molecular weight 387.00 g/mol. IUPAC: N-[[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methylidene]hydroxylamine.
Chemical Property Profile of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime
Property Insights of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime
The XLogP value of 4.8089 indicates that 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime has 1 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 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime?
The CAS number of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime is 321998-39-4.
What is the molecular formula of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime?
The molecular formula of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime is C17H14BrN3OS.
What is the molecular weight of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime?
The molecular weight of 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime is 387.00 g/mol.
Where can I buy 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime?
You can request a quote for 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Bromophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.