Acridine mustard
TL;DR: Acridine mustard (CAS 146-59-8) is a chemical compound with molecular formula C21H27Cl4N3O and molecular weight 477.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride
Also Known As: Acridine mustard, ICR 170, ICR-170H, trimethylolpropanetris(2-mercaptoacetate), SID:176223183
| Molecular Formula | C21H27Cl4N3O |
|---|---|
| Molecular Weight | 477.09 g/mol |
| LogP | 6.26 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.08786 |
| Heavy Atoms | 29 |
| Complexity | 442.0 |
| Melting Point | 464 to 240.6 °C (decomposes) |
Chemical Identifiers
| CAS Number | 146-59-8 |
|---|---|
| SMILES | CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.Cl.Cl |
| InChIKey | PWGOWIIEVDAYTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acridine mustard (CAS 146-59-8), with molecular formula C21H27Cl4N3O and molecular weight 477.09 g/mol. IUPAC: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride.
Chemical Property Profile of Acridine mustard
Property Insights of Acridine mustard
The XLogP value of 6.26 indicates that Acridine mustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Acridine mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acridine mustard 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 Acridine mustard?
The CAS number of Acridine mustard is 146-59-8.
What is the molecular formula of Acridine mustard?
The molecular formula of Acridine mustard is C21H27Cl4N3O.
What is the molecular weight of Acridine mustard?
The molecular weight of Acridine mustard is 477.09 g/mol.
Where can I buy Acridine mustard?
You can request a quote for Acridine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acridine mustard?
Yes, KEHONG BIO provides custom synthesis services for Acridine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.