ICR 430
TL;DR: ICR 430 (CAS 39040-01-2) is a chemical compound with molecular formula C27H34Cl4N4O and molecular weight 570.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[6-[(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)azaniumyl]hexyl]azanium dichloride
Also Known As: ICR 430, 7-((6-(Bis(2-chloroethyl)amino)hexyl)amino)-6-methoxybenzo(b)(1,10)phenanthroline 2HCl 2H2O, 1,6-Hexanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxybenzi(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, dihydrate, bis(2-chloroethyl)-[6-[(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)azaniumyl]hexyl]azanium dichloride
| Molecular Formula | C27H34Cl4N4O |
|---|---|
| Molecular Weight | 570.15 g/mol |
| LogP | -1.93 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 572.14575 |
| Heavy Atoms | 36 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 39040-01-2 |
|---|---|
| SMILES | COC1=CC2=C(C3=NC4=CC=CC=C4C(=C13)[NH2+]CCCCCC[NH+](CCCl)CCCl)N=CC=C2.[Cl-].[Cl-] |
| InChIKey | OKNFIFSCVOBDKM-UHFFFAOYSA-N |
Product Overview
ICR 430 (CAS 39040-01-2), with molecular formula C27H34Cl4N4O and molecular weight 570.15 g/mol. IUPAC: bis(2-chloroethyl)-[6-[(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)azaniumyl]hexyl]azanium dichloride.
Chemical Property Profile of ICR 430
Property Insights of ICR 430
The XLogP value of -1.93 indicates that ICR 430 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.1 Ų, ICR 430 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 430 has 2 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 430?
The CAS number of ICR 430 is 39040-01-2.
What is the molecular formula of ICR 430?
The molecular formula of ICR 430 is C27H34Cl4N4O.
What is the molecular weight of ICR 430?
The molecular weight of ICR 430 is 570.15 g/mol.
Where can I buy ICR 430?
You can request a quote for ICR 430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 430?
Yes, KEHONG BIO provides custom synthesis services for ICR 430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.