Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)
TL;DR: Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) (CAS 133041-62-0) is a chemical compound with molecular formula C27H26Cl2F3N3O4S and molecular weight 615.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-1-methylquinolin-1-ium-4-amine;trifluoromethanesulfonate
Also Known As: Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1), Methanesulfonic acid, trifluoro-, ion(1-), 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methylquinolinium, 4-(4-{4-[Bis(2-chloroethyl)amino]phenoxy}anilino)-1-methylquinolin-1-ium trifluoromethanesulfonate, N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-1-methylquinolin-1-ium-4-amine; trifluoromethanesulfonate
| Molecular Formula | C27H26Cl2F3N3O4S |
|---|---|
| Molecular Weight | 615.10 g/mol |
| LogP | 6.5356 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 615.0973 |
| Heavy Atoms | 40 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 133041-62-0 |
|---|---|
| SMILES | C[N+]1=CC=C(C2=CC=CC=C21)NC3=CC=C(C=C3)OC4=CC=C(C=C4)N(CCCl)CCCl.C(F)(F)(F)S(=O)(=O)[O-] |
| InChIKey | ADXNQLDGNKBUQM-UHFFFAOYSA-N |
Product Overview
Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) (CAS 133041-62-0), with molecular formula C27H26Cl2F3N3O4S and molecular weight 615.10 g/mol. IUPAC: N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-1-methylquinolin-1-ium-4-amine;trifluoromethanesulfonate.
Chemical Property Profile of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)
Property Insights of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)
The XLogP value of 6.5356 indicates that Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1). Following Lipinski's Rule of Five, Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)?
The CAS number of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) is 133041-62-0.
What is the molecular formula of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)?
The molecular formula of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) is C27H26Cl2F3N3O4S.
What is the molecular weight of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)?
The molecular weight of Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) is 615.10 g/mol.
Where can I buy Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)?
You can request a quote for Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.