4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide (CAS 714947-24-7) is a chemical compound with molecular formula C20H24F3N5O4S2 and molecular weight 519.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide, 4-oxo-4-(4-{[4-(propan-2-yl)phenyl]sulfonyl}piperazin-1-yl)-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, 4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C20H24F3N5O4S2 |
|---|---|
| Molecular Weight | 519.12 g/mol |
| LogP | 2.9321 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1222 |
| Heavy Atoms | 34 |
| Complexity | 1125.8229 |
Chemical Identifiers
| CAS Number | 714947-24-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F |
Product Overview
4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide (CAS 714947-24-7), with molecular formula C20H24F3N5O4S2 and molecular weight 519.12 g/mol. IUPAC: 4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 2.9321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is 714947-24-7.
What is the molecular formula of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is C20H24F3N5O4S2.
What is the molecular weight of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is 519.12 g/mol.
Where can I buy 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
You can request a quote for 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-((4-isopropylphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.