Quinacrine ethyl mustard
TL;DR: Quinacrine ethyl mustard (CAS 10072-25-0) is a chemical compound with molecular formula C20H24Cl5N3O and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[2-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]ethyl]azanium dichloride
Also Known As: Quinacrine ethyl mustard, ICR-48b, 9-(2-(Di(2-chloroethyl)amino)ethylamino)-6-chloro-2-methoxyacridine, Acridine, 9-(2-(bis(2-chloroethyl)amino)ethylamino)-6-chloro-2-methoxy-, dihydrochloride, hydrate, Acridine, 9-((2-(bis(2-chloroethyl)amino)ethyl)amino)-6-chloro-2-methoxy-, dihydrochloride
| Molecular Formula | C20H24Cl5N3O |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | -3.38 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.03326 |
| Heavy Atoms | 29 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 10072-25-0 |
|---|---|
| SMILES | COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CC[NH+](CCCl)CCCl.[Cl-].[Cl-] |
| InChIKey | LIBUVSXLVIDYDV-UHFFFAOYSA-N |
Product Overview
Quinacrine ethyl mustard (CAS 10072-25-0), with molecular formula C20H24Cl5N3O and molecular weight 497.04 g/mol. IUPAC: bis(2-chloroethyl)-[2-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]ethyl]azanium dichloride.
Chemical Property Profile of Quinacrine ethyl mustard
Property Insights of Quinacrine ethyl mustard
The XLogP value of -3.38 indicates that Quinacrine ethyl mustard is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.2 Ų, Quinacrine ethyl mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinacrine ethyl mustard has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinacrine ethyl mustard?
The CAS number of Quinacrine ethyl mustard is 10072-25-0.
What is the molecular formula of Quinacrine ethyl mustard?
The molecular formula of Quinacrine ethyl mustard is C20H24Cl5N3O.
What is the molecular weight of Quinacrine ethyl mustard?
The molecular weight of Quinacrine ethyl mustard is 497.04 g/mol.
Where can I buy Quinacrine ethyl mustard?
You can request a quote for Quinacrine ethyl mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinacrine ethyl mustard?
Yes, KEHONG BIO provides custom synthesis services for Quinacrine ethyl mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.