4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide (CAS 714283-00-8) is a chemical compound with molecular formula C18H20F3N5O5S2 and molecular weight 507.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide, 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
| Molecular Formula | C18H20F3N5O5S2 |
|---|---|
| Molecular Weight | 507.09 g/mol |
| LogP | 1.8173 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.0858 |
| Heavy Atoms | 33 |
| Complexity | 1097.419 |
Chemical Identifiers
| CAS Number | 714283-00-8 |
|---|---|
| SMILES | COC1=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-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide (CAS 714283-00-8), with molecular formula C18H20F3N5O5S2 and molecular weight 507.09 g/mol. IUPAC: 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 1.8173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-((4-methoxyphenyl)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-methoxyphenyl)sulfonyl)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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is 714283-00-8.
What is the molecular formula of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is C18H20F3N5O5S2.
What is the molecular weight of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 4-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide is 507.09 g/mol.
Where can I buy 4-(4-((4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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.