3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione
TL;DR: 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione (CAS 104753-37-9) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-nitrophenyl)iminomethyl]-2-phenyl-1H-pyrazole-3-thione
Also Known As: pyrazolethione, 3, 5-methyl-4-{[(4-nitrophenyl)amino]methylene}-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione, 5-methyl-4-[(4-nitroanilino)methylidene]-2-phenylpyrazole-3-thione, (4E)-5-methyl-4-[(4-nitroanilino)methylidene]-2-phenylpyrazole-3-thione, (4Z)-5-methyl-4-[(4-nitroanilino)methylidene]-2-phenylpyrazole-3-thione
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 4.50211 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 956.5057 |
Chemical Identifiers
| CAS Number | 104753-37-9 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione (CAS 104753-37-9), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 5-methyl-4-[(4-nitrophenyl)iminomethyl]-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione
Property Insights of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione
The XLogP value of 4.50211 indicates that 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione. Following Lipinski's Rule of Five, 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione has 1 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 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione?
The CAS number of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione is 104753-37-9.
What is the molecular formula of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione?
The molecular formula of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione is C17H14N4O2S.
What is the molecular weight of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione?
The molecular weight of 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione is 338.08 g/mol.
Where can I buy 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione?
You can request a quote for 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(4-nitroanilinomethylene)-1-phenyl-2-pyrazoline-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.