![(4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3147/314763-80-9.webp)
(4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one (CAS 314763-80-9) is a chemical compound with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-one
Also Known As: (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-one, (4E)-4-[(4-dimethylaminophenyl)methylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-one, 4-[4-(dimethylamino)benzylidene]-2-(4-{3-nitrophenyl}-1,3-thiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C22H19N5O3S |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 4.5904 |
| Topological Polar Surface Area | 91.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.12085 |
| Heavy Atoms | 31 |
| Complexity | 1227.9532 |
Chemical Identifiers
| CAS Number | 314763-80-9 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one (CAS 314763-80-9), with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol. IUPAC: (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-one.
Chemical Property Profile of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 4.5904 indicates that (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 7 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 (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one is 314763-80-9.
What is the molecular formula of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one is C22H19N5O3S.
What is the molecular weight of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one is 433.12 g/mol.
Where can I buy (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.