propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
TL;DR: propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate (CAS 128202-97-1) is a chemical compound with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate
Also Known As: starbld0037429, propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate, propyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate, propyl 5-hydroxy-3-methyl-1-phenylpyrazole-4-carbodithioate, propyl-5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
| Molecular Formula | C14H16N2OS2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 3.29272 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0704 |
| Heavy Atoms | 19 |
| Complexity | 628.6407 |
Chemical Identifiers
| CAS Number | 128202-97-1 |
|---|---|
| SMILES | CCCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C |
Product Overview
propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate (CAS 128202-97-1), with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol. IUPAC: propyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate.
Chemical Property Profile of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Property Insights of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
The XLogP value of 3.29272 indicates that propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate has 1 hydrogen bond donor(s) and 3 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 propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate?
The CAS number of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate is 128202-97-1.
What is the molecular formula of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate?
The molecular formula of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate is C14H16N2OS2.
What is the molecular weight of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate?
The molecular weight of propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate is 292.07 g/mol.
Where can I buy propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate?
You can request a quote for propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.