ICR 447
TL;DR: ICR 447 (CAS 50613-54-2) is a chemical compound with molecular formula C20H26Cl4N4O and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N-(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
Also Known As: 1,2-Ethanediamine, N-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N'-(2-chloroethyl)-, dihydrochloride, 2-Butoxy-7-chloro-10-((2-((2-chloroethyl)amino)ethyl)amino)benzo(b)-1,5-naphthyridine 2HCl, n-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-n'-(2-chloroethyl)ethane-1,2-diamine dihydrochloride, 1,2-Ethanediamine, N-(2-butoxy-7-chlorobenzo[b]-1,5-naphthyridin-10-yl)-N'-(2-chloroethyl)-, dihydrochloride, N'-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N-(2-chloroethyl)ethane-1,2-diamine dihydrochloride
| Molecular Formula | C20H26Cl4N4O |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 5.6992 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.08606 |
| Heavy Atoms | 29 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 50613-54-2 |
|---|---|
| SMILES | CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl.Cl.Cl |
| InChIKey | RZKIIOJKDLKOTH-UHFFFAOYSA-N |
Product Overview
ICR 447 (CAS 50613-54-2), with molecular formula C20H26Cl4N4O and molecular weight 478.09 g/mol. IUPAC: N'-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N-(2-chloroethyl)ethane-1,2-diamine;dihydrochloride.
Chemical Property Profile of ICR 447
Property Insights of ICR 447
The XLogP value of 5.6992 indicates that ICR 447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, ICR 447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 447 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 ICR 447?
The CAS number of ICR 447 is 50613-54-2.
What is the molecular formula of ICR 447?
The molecular formula of ICR 447 is C20H26Cl4N4O.
What is the molecular weight of ICR 447?
The molecular weight of ICR 447 is 478.09 g/mol.
Where can I buy ICR 447?
You can request a quote for ICR 447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 447?
Yes, KEHONG BIO provides custom synthesis services for ICR 447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.