![3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] structure](/static/products/314/314293-11-3.png)
3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]
TL;DR: 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] (CAS 314293-11-3) is a chemical compound with molecular formula C31H19ClN6O4S and molecular weight 606.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
Also Known As: 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone], 4-[(2-benzoyl-4-chlorophenyl)hydrazono]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C31H19ClN6O4S |
|---|---|
| Molecular Weight | 606.09 g/mol |
| LogP | 6.8217 |
| Topological Polar Surface Area | 130.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 606.0877 |
| Heavy Atoms | 43 |
| Complexity | 1925.2456 |
Chemical Identifiers
| CAS Number | 314293-11-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)/C(=N/NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)/C(=N3)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] (CAS 314293-11-3), with molecular formula C31H19ClN6O4S and molecular weight 606.09 g/mol. IUPAC: (4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one.
Chemical Property Profile of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]
Property Insights of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]
The XLogP value of 6.8217 indicates that 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]?
The CAS number of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] is 314293-11-3.
What is the molecular formula of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]?
The molecular formula of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] is C31H19ClN6O4S.
What is the molecular weight of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]?
The molecular weight of 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] is 606.09 g/mol.
Where can I buy 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]?
You can request a quote for 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone]?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2-benzoyl-4-chlorophenyl)hydrazone] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.