(Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide
TL;DR: (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide (CAS 315243-66-4) is a chemical compound with molecular formula C27H28N4O3S2 and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, F0833-0118, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C27H28N4O3S2 |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 4.66692 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.1603 |
| Heavy Atoms | 36 |
| Complexity | 1388.8671 |
Chemical Identifiers
| CAS Number | 315243-66-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
Product Overview
(Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide (CAS 315243-66-4), with molecular formula C27H28N4O3S2 and molecular weight 520.16 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide
Property Insights of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide
The XLogP value of 4.66692 indicates that (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide. Following Lipinski's Rule of Five, (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
The CAS number of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is 315243-66-4.
What is the molecular formula of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
The molecular formula of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is C27H28N4O3S2.
What is the molecular weight of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
The molecular weight of (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is 520.16 g/mol.
Where can I buy (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
You can request a quote for (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.