Chloroquine-ethyl phenyl mustard
TL;DR: Chloroquine-ethyl phenyl mustard (CAS 4465-92-3) is a chemical compound with molecular formula C21H23Cl4N3 and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloroquinolin-4-amine;hydrochloride
Also Known As: Chloroquine-ethyl phenyl mustard, Quinoline, hydrochloride, Quinoline, monohydrochloride, 4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride, Quinoline, 4-(p-bis(2-chloroethyl)aminophenylethylamino)-7-chloro-, monohydrochloride
| Molecular Formula | C21H23Cl4N3 |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 6.25 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.06165 |
| Heavy Atoms | 28 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 4465-92-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC2=C3C=CC(=CC3=NC=C2)Cl)N(CCCl)CCCl.Cl |
| InChIKey | GBIRJUAVGJFGSS-UHFFFAOYSA-N |
Product Overview
Chloroquine-ethyl phenyl mustard (CAS 4465-92-3), with molecular formula C21H23Cl4N3 and molecular weight 457.06 g/mol. IUPAC: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloroquinolin-4-amine;hydrochloride.
Chemical Property Profile of Chloroquine-ethyl phenyl mustard
Property Insights of Chloroquine-ethyl phenyl mustard
The XLogP value of 6.25 indicates that Chloroquine-ethyl phenyl mustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Chloroquine-ethyl phenyl mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroquine-ethyl phenyl mustard has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloroquine-ethyl phenyl mustard?
The CAS number of Chloroquine-ethyl phenyl mustard is 4465-92-3.
What is the molecular formula of Chloroquine-ethyl phenyl mustard?
The molecular formula of Chloroquine-ethyl phenyl mustard is C21H23Cl4N3.
What is the molecular weight of Chloroquine-ethyl phenyl mustard?
The molecular weight of Chloroquine-ethyl phenyl mustard is 457.06 g/mol.
Where can I buy Chloroquine-ethyl phenyl mustard?
You can request a quote for Chloroquine-ethyl phenyl mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroquine-ethyl phenyl mustard?
Yes, KEHONG BIO provides custom synthesis services for Chloroquine-ethyl phenyl mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.