Chloroquin mustard
TL;DR: Chloroquin mustard (CAS 4213-44-9) is a chemical compound with molecular formula C18H26Cl5N3 and molecular weight 459.06 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;dihydrochloride
Also Known As: Chloroquin mustard, Chloroquine mustard, ICR-25a, 4-(4-(Di-(2-chloroethyl)-amino)-1-methyl-butylamino)-7-chloroquinoline, 1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(7-chloro-4-quinolinyl)-, dihydrochloride
| Molecular Formula | C18H26Cl5N3 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 6.09 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.054 |
| Heavy Atoms | 26 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 4213-44-9 |
|---|---|
| SMILES | CC(CCCN(CCCl)CCCl)NC1=C2C=CC(=CC2=NC=C1)Cl.Cl.Cl |
| InChIKey | SHYLMOVKHYJOKK-UHFFFAOYSA-N |
Product Overview
Chloroquin mustard (CAS 4213-44-9), with molecular formula C18H26Cl5N3 and molecular weight 459.06 g/mol. IUPAC: 1-N,1-N-bis(2-chloroethyl)-4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine;dihydrochloride.
Chemical Property Profile of Chloroquin mustard
Property Insights of Chloroquin mustard
The XLogP value of 6.09 indicates that Chloroquin 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, Chloroquin mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroquin mustard has 3 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 Chloroquin mustard?
The CAS number of Chloroquin mustard is 4213-44-9.
What is the molecular formula of Chloroquin mustard?
The molecular formula of Chloroquin mustard is C18H26Cl5N3.
What is the molecular weight of Chloroquin mustard?
The molecular weight of Chloroquin mustard is 459.06 g/mol.
Where can I buy Chloroquin mustard?
You can request a quote for Chloroquin mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroquin mustard?
Yes, KEHONG BIO provides custom synthesis services for Chloroquin mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.