![methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate structure](/static/products/3219/321998-66-7.webp)
methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate
TL;DR: methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate (CAS 321998-66-7) is a chemical compound with molecular formula C19H15N3O2S and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-cyano-1-methyl-3-phenylpyrazol-5-yl)sulfanylbenzoate
Also Known As: 8L-522S, methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate, methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzoate, methyl 2-(4-cyano-2-methyl-5-phenylpyrazol-3-yl)sulfanylbenzoate, methyl 2-(4-cyano-2-methyl-5-phenyl-pyrazol-3-yl)sulfanylbenzoate
| Molecular Formula | C19H15N3O2S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 3.89658 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.0885 |
| Heavy Atoms | 25 |
| Complexity | 958.5457 |
Chemical Identifiers
| CAS Number | 321998-66-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate (CAS 321998-66-7), with molecular formula C19H15N3O2S and molecular weight 349.09 g/mol. IUPAC: methyl 2-(4-cyano-1-methyl-3-phenylpyrazol-5-yl)sulfanylbenzoate.
Chemical Property Profile of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate
Property Insights of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate
The XLogP value of 3.89658 indicates that methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate. Following Lipinski's Rule of Five, methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate?
The CAS number of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate is 321998-66-7.
What is the molecular formula of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate?
The molecular formula of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate is C19H15N3O2S.
What is the molecular weight of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate?
The molecular weight of methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate is 349.09 g/mol.
Where can I buy methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate?
You can request a quote for methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfanyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.