4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide
TL;DR: 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide (CAS 372973-65-4) is a chemical compound with molecular formula C22H18F6N6O2S and molecular weight 544.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
Also Known As: 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide, 4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-N-(pyrimidin-2-yl)benzenesulfonamide, 4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
| Molecular Formula | C22H18F6N6O2S |
|---|---|
| Molecular Weight | 544.11 g/mol |
| LogP | 4.73038 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.11163 |
| Heavy Atoms | 37 |
| Complexity | 1396.7867 |
Chemical Identifiers
| CAS Number | 372973-65-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N)C#N)(C(F)(F)F)C(F)(F)F |
Product Overview
4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide (CAS 372973-65-4), with molecular formula C22H18F6N6O2S and molecular weight 544.11 g/mol. IUPAC: 4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide.
Chemical Property Profile of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide
Property Insights of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide
The XLogP value of 4.73038 indicates that 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide?
The CAS number of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide is 372973-65-4.
What is the molecular formula of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide?
The molecular formula of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide is C22H18F6N6O2S.
What is the molecular weight of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide?
The molecular weight of 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide is 544.11 g/mol.
Where can I buy 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide?
You can request a quote for 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-amino-3-cyano-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.