Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate
TL;DR: Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate (CAS 5563-10-0) is a chemical compound with molecular formula C27H29Cl2N2O3S+ and molecular weight 531.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-(quinolin-1-ium-1-ylmethyl)aniline;4-methylbenzenesulfonic acid
Also Known As: 1-(p-(Bis(2-chloroethyl)amino)benzyl)quinolinium toluenesulfonate, Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate, Quinolinium, 1-((4-(bis(2-chloroethyl)amino)phenyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 1-[p-[Bis(2-chloroethyl)amino]benzyl]quinolinium toluenesulfonate, N,N-bis(2-chloroethyl)-4-(quinolin-1-ium-1-ylmethyl)aniline; 4-methylbenzenesulfonic acid
| Molecular Formula | C27H29Cl2N2O3S+ |
|---|---|
| Molecular Weight | 531.13 g/mol |
| LogP | 5.70132 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.1276 |
| Heavy Atoms | 35 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 5563-10-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC=[N+]2CC3=CC=C(C=C3)N(CCCl)CCCl |
| InChIKey | DQAGEPHQBJVYSE-UHFFFAOYSA-N |
Product Overview
Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate (CAS 5563-10-0), with molecular formula C27H29Cl2N2O3S+ and molecular weight 531.13 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-(quinolin-1-ium-1-ylmethyl)aniline;4-methylbenzenesulfonic acid.
Chemical Property Profile of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate
Property Insights of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate
The XLogP value of 5.70132 indicates that Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate. Following Lipinski's Rule of Five, Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate?
The CAS number of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate is 5563-10-0.
What is the molecular formula of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate?
The molecular formula of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate is C27H29Cl2N2O3S+.
What is the molecular weight of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate?
The molecular weight of Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate is 531.13 g/mol.
Where can I buy Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate?
You can request a quote for Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.