pyrazolethione, 3-4
TL;DR: pyrazolethione, 3-4 (CAS 331818-06-5) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxy-4-nitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: pyrazolethione, 3-4, (4Z)-4-[(2-hydroxy-4-nitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, 4-[(2-hydroxy-4-nitroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4Z)-4-{[(2-hydroxy-4-nitrophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione, (Z)-4-(((2-hydroxy-4-nitrophenyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazole-5(4H)-thione
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 4.20771 |
| Topological Polar Surface Area | 96.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 1022.1174 |
Chemical Identifiers
| CAS Number | 331818-06-5 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=C(C=C(C=C3)[N+](=O)[O-])O |
Product Overview
pyrazolethione, 3-4 (CAS 331818-06-5), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: 4-[(2-hydroxy-4-nitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of pyrazolethione, 3-4
Property Insights of pyrazolethione, 3-4
The XLogP value of 4.20771 indicates that pyrazolethione, 3-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.45 Ų falls within the moderate polarity range, balancing permeability and solubility for pyrazolethione, 3-4. Following Lipinski's Rule of Five, pyrazolethione, 3-4 has 2 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 pyrazolethione, 3-4?
The CAS number of pyrazolethione, 3-4 is 331818-06-5.
What is the molecular formula of pyrazolethione, 3-4?
The molecular formula of pyrazolethione, 3-4 is C17H14N4O3S.
What is the molecular weight of pyrazolethione, 3-4?
The molecular weight of pyrazolethione, 3-4 is 354.08 g/mol.
Where can I buy pyrazolethione, 3-4?
You can request a quote for pyrazolethione, 3-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrazolethione, 3-4?
Yes, KEHONG BIO provides custom synthesis services for pyrazolethione, 3-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.