![5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile structure](/static/products/3219/321998-38-3.webp)
5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
TL;DR: 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile (CAS 321998-38-3) is a chemical compound with molecular formula C21H21N3S and molecular weight 347.15 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-carbonitrile
Also Known As: 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile, 10L-585S, 5-[(4-tert-butylphenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile, 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile, 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile
| Molecular Formula | C21H21N3S |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 5.40748 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.14563 |
| Heavy Atoms | 25 |
| Complexity | 910.7604 |
Chemical Identifiers
| CAS Number | 321998-38-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C#N |
Product Overview
5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile (CAS 321998-38-3), with molecular formula C21H21N3S and molecular weight 347.15 g/mol. IUPAC: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
Property Insights of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
The XLogP value of 5.40748 indicates that 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.61 Ų, 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile 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-carbonitrile 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-carbonitrile?
The CAS number of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is 321998-38-3.
What is the molecular formula of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is C21H21N3S.
What is the molecular weight of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is 347.15 g/mol.
Where can I buy 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile 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-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(tert-butyl)phenyl]sulfanyl}-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.