Chlormetacrine dihydrochloride
TL;DR: Chlormetacrine dihydrochloride (CAS 54934-78-0) is a chemical compound with molecular formula C21H28Cl3N3O2 and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol;dihydrochloride
Also Known As: Acranil, Acranil dihydrochloride, Acranil hydrochloride, chlormetacrine dihydrochloride, SKF 16214A2
| Molecular Formula | C21H28Cl3N3O2 |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 5.0082 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.1247 |
| Heavy Atoms | 29 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 54934-78-0 |
|---|---|
| SMILES | CCN(CC)CC(CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl.Cl |
| InChIKey | WICHWAQPBSHNKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlormetacrine dihydrochloride (CAS 54934-78-0), with molecular formula C21H28Cl3N3O2 and molecular weight 459.12 g/mol. IUPAC: 1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol;dihydrochloride.
Chemical Property Profile of Chlormetacrine dihydrochloride
Property Insights of Chlormetacrine dihydrochloride
The XLogP value of 5.0082 indicates that Chlormetacrine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Chlormetacrine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlormetacrine dihydrochloride has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlormetacrine dihydrochloride?
The CAS number of Chlormetacrine dihydrochloride is 54934-78-0.
What is the molecular formula of Chlormetacrine dihydrochloride?
The molecular formula of Chlormetacrine dihydrochloride is C21H28Cl3N3O2.
What is the molecular weight of Chlormetacrine dihydrochloride?
The molecular weight of Chlormetacrine dihydrochloride is 459.12 g/mol.
Where can I buy Chlormetacrine dihydrochloride?
You can request a quote for Chlormetacrine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlormetacrine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Chlormetacrine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.