![{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate structure](/static/products/3182/318247-45-9.webp)
{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate
TL;DR: {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate (CAS 318247-45-9) is a chemical compound with molecular formula C20H20N2O2S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl acetate
Also Known As: 4K-307S, {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate, [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl acetate, (1-Methyl-3-phenyl-5-(p-tolylthio)-1H-pyrazol-4-yl)methyl acetate
| Molecular Formula | C20H20N2O2S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 4.60982 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.12454 |
| Heavy Atoms | 25 |
| Complexity | 870.71674 |
Chemical Identifiers
| CAS Number | 318247-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C |
Product Overview
{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate (CAS 318247-45-9), with molecular formula C20H20N2O2S and molecular weight 352.12 g/mol. IUPAC: [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl acetate.
Chemical Property Profile of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate
Property Insights of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate
The XLogP value of 4.60982 indicates that {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate has 0 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 {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate?
The CAS number of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate is 318247-45-9.
What is the molecular formula of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate?
The molecular formula of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate is C20H20N2O2S.
What is the molecular weight of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate?
The molecular weight of {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate is 352.12 g/mol.
Where can I buy {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate?
You can request a quote for {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.