![2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide structure](/static/products/5685/568553-89-9.webp)
2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
TL;DR: 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide (CAS 568553-89-9) is a chemical compound with molecular formula C31H29F3N4O4S2 and molecular weight 642.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
Also Known As: 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide, 2-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
| Molecular Formula | C31H29F3N4O4S2 |
|---|---|
| Molecular Weight | 642.16 g/mol |
| LogP | 6.71972 |
| Topological Polar Surface Area | 108.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 642.1582 |
| Heavy Atoms | 44 |
| Complexity | 1824.6799 |
Chemical Identifiers
| CAS Number | 568553-89-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=CC=C5C(F)(F)F |
Product Overview
2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide (CAS 568553-89-9), with molecular formula C31H29F3N4O4S2 and molecular weight 642.16 g/mol. IUPAC: 2-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
Chemical Property Profile of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
Property Insights of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
The XLogP value of 6.71972 indicates that 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide. Following Lipinski's Rule of Five, 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide?
The CAS number of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide is 568553-89-9.
What is the molecular formula of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide?
The molecular formula of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide is C31H29F3N4O4S2.
What is the molecular weight of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide?
The molecular weight of 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide is 642.16 g/mol.
Where can I buy 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide?
You can request a quote for 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-[[2-Methyl-5-(1-piperidinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.