Chloroquine mustard
TL;DR: Chloroquine mustard (CAS 3562-71-8) is a chemical compound with molecular formula C18H24Cl3N3 and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,1-N-bis(2-chloroethyl)-4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
Also Known As: Chloroquine mustard, 1-N,1-N-bis(2-chloroethyl)-4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine, 1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(7-chloro-4-quinolinyl)-, N1,N1-Bis(2-chloroethyl)-N4-(7-chloro-4-quinolinyl)-1,4-pentanediamine, 4-(4-(Di-(2-chloroethyl)-amino)-1-methyl-butylamino)-7-chloroquinoline
| Molecular Formula | C18H24Cl3N3 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 387.10358 |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 3562-71-8 |
|---|---|
| SMILES | CC(CCCN(CCCl)CCCl)NC1=C2C=CC(=CC2=NC=C1)Cl |
| InChIKey | OXCSNJULRYCPDZ-UHFFFAOYSA-N |
Product Overview
Chloroquine mustard (CAS 3562-71-8), with molecular formula C18H24Cl3N3 and molecular weight 387.10 g/mol. IUPAC: 1-N,1-N-bis(2-chloroethyl)-4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine.
Chemical Property Profile of Chloroquine mustard
Property Insights of Chloroquine mustard
The XLogP value of 5.1 indicates that Chloroquine 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 mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroquine mustard has 1 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 mustard?
The CAS number of Chloroquine mustard is 3562-71-8.
What is the molecular formula of Chloroquine mustard?
The molecular formula of Chloroquine mustard is C18H24Cl3N3.
What is the molecular weight of Chloroquine mustard?
The molecular weight of Chloroquine mustard is 387.10 g/mol.
Where can I buy Chloroquine mustard?
You can request a quote for Chloroquine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroquine mustard?
Yes, KEHONG BIO provides custom synthesis services for Chloroquine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.