4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide (CAS 713091-05-5) is a chemical compound with molecular formula C17H24F3N5O2S and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide, 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C17H24F3N5O2S |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.16028 |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 713091-05-5 |
|---|---|
| SMILES | C1CCC(CC1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F |
| InChIKey | JKONCDDIMRJEAZ-UHFFFAOYSA-N |
Product Overview
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide (CAS 713091-05-5), with molecular formula C17H24F3N5O2S and molecular weight 419.16 g/mol. IUPAC: 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 9 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-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is 713091-05-5.
What is the molecular formula of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is C17H24F3N5O2S.
What is the molecular weight of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is 419.16 g/mol.
Where can I buy 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
You can request a quote for 4-(4-cyclohexylpiperazin-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-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-cyclohexylpiperazin-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.