ICR dihydrochloride
TL;DR: ICR dihydrochloride (CAS 17070-45-0) is a chemical compound with molecular formula C19H23Cl4N3O and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-[3-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]propyl]azanium dichloride
Also Known As: ICR dihydrochloride, Icr-191 dihydrochloride, ICR 191 dihydrochloride, ICR 191, Acridine Mutagen ICR 191
| Molecular Formula | C19H23Cl4N3O |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | -3.55 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.05658 |
| Heavy Atoms | 27 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 17070-45-0 |
|---|---|
| SMILES | COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CCC[NH2+]CCCl.[Cl-].[Cl-] |
| InChIKey | LMEMIKWTNPWYMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ICR dihydrochloride (CAS 17070-45-0), with molecular formula C19H23Cl4N3O and molecular weight 449.06 g/mol. IUPAC: 2-chloroethyl-[3-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]propyl]azanium dichloride.
Chemical Property Profile of ICR dihydrochloride
Property Insights of ICR dihydrochloride
The XLogP value of -3.55 indicates that ICR dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.3 Ų, ICR dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR dihydrochloride 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 ICR dihydrochloride?
The CAS number of ICR dihydrochloride is 17070-45-0.
What is the molecular formula of ICR dihydrochloride?
The molecular formula of ICR dihydrochloride is C19H23Cl4N3O.
What is the molecular weight of ICR dihydrochloride?
The molecular weight of ICR dihydrochloride is 449.06 g/mol.
Where can I buy ICR dihydrochloride?
You can request a quote for ICR dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ICR dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.