![4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide structure](/static/products/714/714225-24-8.png)
4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
TL;DR: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 714225-24-8) is a chemical compound with molecular formula C17H17F3N6O4S and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide, 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
| Molecular Formula | C17H17F3N6O4S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 2.5326 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.09842 |
| Heavy Atoms | 31 |
| Complexity | 957.5216 |
Chemical Identifiers
| CAS Number | 714225-24-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F |
Product Overview
4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 714225-24-8), with molecular formula C17H17F3N6O4S and molecular weight 458.10 g/mol. IUPAC: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Property Insights of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
The XLogP value of 2.5326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide has 1 hydrogen bond donor(s) and 8 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 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The CAS number of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is 714225-24-8.
What is the molecular formula of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular formula of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is C17H17F3N6O4S.
What is the molecular weight of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular weight of 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is 458.10 g/mol.
Where can I buy 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
You can request a quote for 4-[4-(4-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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.