Quinacrine mustard dihydrochloride
TL;DR: Quinacrine mustard dihydrochloride (CAS 4213-45-0) is a chemical compound with molecular formula C23H30Cl5N3O and molecular weight 539.08 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-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine;dihydrochloride
Also Known As: quinacrine mustard, Quinacrine mustard dihydrochloride, Atabrine mustard dihydrochloride, ICR 10, Quinacrine mustard 2HCl
| Molecular Formula | C23H30Cl5N3O |
|---|---|
| Molecular Weight | 539.08 g/mol |
| LogP | 7.25 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 541.0802 |
| Heavy Atoms | 32 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 4213-45-0 |
|---|---|
| SMILES | CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl |
| InChIKey | JETDZFFCRPFPDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinacrine mustard dihydrochloride (CAS 4213-45-0), with molecular formula C23H30Cl5N3O and molecular weight 539.08 g/mol. IUPAC: 1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine;dihydrochloride.
Chemical Property Profile of Quinacrine mustard dihydrochloride
Property Insights of Quinacrine mustard dihydrochloride
The XLogP value of 7.25 indicates that Quinacrine mustard dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Quinacrine mustard dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinacrine mustard dihydrochloride has 3 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 Quinacrine mustard dihydrochloride?
The CAS number of Quinacrine mustard dihydrochloride is 4213-45-0.
What is the molecular formula of Quinacrine mustard dihydrochloride?
The molecular formula of Quinacrine mustard dihydrochloride is C23H30Cl5N3O.
What is the molecular weight of Quinacrine mustard dihydrochloride?
The molecular weight of Quinacrine mustard dihydrochloride is 539.08 g/mol.
Where can I buy Quinacrine mustard dihydrochloride?
You can request a quote for Quinacrine mustard dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinacrine mustard dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Quinacrine mustard dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.