ICR 423
TL;DR: ICR 423 (CAS 51112-66-4) is a chemical compound with molecular formula C21H23Cl3N4O and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine;dihydrochloride
Also Known As: C21-H21-Cl-N4-O.2Cl-H.5/2H2-O, 1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5), 1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, n-(2-chloroethyl)-n'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine dihydrochloride, N~1~-(2-Chloroethyl)-N~2~-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine--hydrogen chloride (1/2)
| Molecular Formula | C21H23Cl3N4O |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 5.0287 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.09375 |
| Heavy Atoms | 29 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 51112-66-4 |
|---|---|
| SMILES | COC1=CC2=C(C3=NC4=CC=CC=C4C(=C13)NCCNCCCl)N=CC=C2.Cl.Cl |
| InChIKey | GDIVQDBGRYCUNQ-UHFFFAOYSA-N |
Product Overview
ICR 423 (CAS 51112-66-4), with molecular formula C21H23Cl3N4O and molecular weight 452.09 g/mol. IUPAC: N-(2-chloroethyl)-N'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine;dihydrochloride.
Chemical Property Profile of ICR 423
Property Insights of ICR 423
The XLogP value of 5.0287 indicates that ICR 423 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 423 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 423 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 423?
The CAS number of ICR 423 is 51112-66-4.
What is the molecular formula of ICR 423?
The molecular formula of ICR 423 is C21H23Cl3N4O.
What is the molecular weight of ICR 423?
The molecular weight of ICR 423 is 452.09 g/mol.
Where can I buy ICR 423?
You can request a quote for ICR 423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 423?
Yes, KEHONG BIO provides custom synthesis services for ICR 423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.