![4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide structure](/static/products/714/714944-21-5.png)
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
TL;DR: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 714944-21-5) is a chemical compound with molecular formula C20H24F3N5O3S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, 4-oxo-4-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
| Molecular Formula | C20H24F3N5O3S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 2.80722 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.15518 |
| Heavy Atoms | 32 |
| Complexity | 911.9493 |
Chemical Identifiers
| CAS Number | 714944-21-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F |
Product Overview
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 714944-21-5), with molecular formula C20H24F3N5O3S and molecular weight 471.16 g/mol. IUPAC: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Property Insights of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
The XLogP value of 2.80722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 4-[4-[2-(4-methylphenoxy)ethyl]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), 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-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The CAS number of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is 714944-21-5.
What is the molecular formula of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular formula of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is C20H24F3N5O3S.
What is the molecular weight of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular weight of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is 471.16 g/mol.
Where can I buy 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
You can request a quote for 4-[4-[2-(4-methylphenoxy)ethyl]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-[2-(4-methylphenoxy)ethyl]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-[2-(4-methylphenoxy)ethyl]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.