![5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde structure](/static/products/3219/321998-18-9.webp)
5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde
TL;DR: 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde (CAS 321998-18-9) is a chemical compound with molecular formula C21H22N2OS and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbaldehyde
Also Known As: 10L-554S, 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde, 5-[(4-tert-butylphenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde, 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbaldehyde, 5-{[4-(Tert-butyl)phenyl]sulfanyl}-1-methyl-3- phenyl-1H-pyrazole-4-carbaldehyde
| Molecular Formula | C21H22N2OS |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 5.3483 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1453 |
| Heavy Atoms | 25 |
| Complexity | 874.7547 |
Chemical Identifiers
| CAS Number | 321998-18-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C=O |
Product Overview
5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde (CAS 321998-18-9), with molecular formula C21H22N2OS and molecular weight 350.15 g/mol. IUPAC: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbaldehyde.
Chemical Property Profile of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde
Property Insights of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 5.3483 indicates that 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde is 321998-18-9.
What is the molecular formula of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde is C21H22N2OS.
What is the molecular weight of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde is 350.15 g/mol.
Where can I buy 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.