ICR 411
TL;DR: ICR 411 (CAS 50581-18-5) is a chemical compound with molecular formula C18H22Cl3N3O and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine;dihydrochloride
Also Known As: 1,2-Ethanediamine, N-(2-chloroethyl)-N'-(2-methoxy-9-acridinyl)-, dihydrochloride, 9-((2-((2-Chloroethyl)amino)ethyl)amino)-2-methoxyacridine dihydrochloride, Acridine, 9-((2-((2-chloroethyl)amino)ethyl)amino)-2-methoxy-, dihydrochloride, n-(2-chloroethyl)-n'-(2-methoxyacridin-9-yl)ethane-1,2-diamine dihydrochloride, N-(2-chloroethyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine,dihydrochloride
| Molecular Formula | C18H22Cl3N3O |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 4.4805 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.08286 |
| Heavy Atoms | 25 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 50581-18-5 |
|---|---|
| SMILES | COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCNCCCl.Cl.Cl |
| InChIKey | CECCNQHSQWOYTQ-UHFFFAOYSA-N |
Product Overview
ICR 411 (CAS 50581-18-5), with molecular formula C18H22Cl3N3O and molecular weight 401.08 g/mol. IUPAC: N-(2-chloroethyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine;dihydrochloride.
Chemical Property Profile of ICR 411
Property Insights of ICR 411
The XLogP value of 4.4805 indicates that ICR 411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, ICR 411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 411 has 4 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 411?
The CAS number of ICR 411 is 50581-18-5.
What is the molecular formula of ICR 411?
The molecular formula of ICR 411 is C18H22Cl3N3O.
What is the molecular weight of ICR 411?
The molecular weight of ICR 411 is 401.08 g/mol.
Where can I buy ICR 411?
You can request a quote for ICR 411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 411?
Yes, KEHONG BIO provides custom synthesis services for ICR 411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.