ICR 394
TL;DR: ICR 394 (CAS 38915-59-2) is a chemical compound with molecular formula C24H30Cl4N4 and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzo[b][1,10]phenanthroline-1,12-diium-7-ylamino)propyl-(2-chloroethyl)-propylazanium trichloride
Also Known As: ICR 394, Benzo(b)(1,10)phenanthroline, 7-(3-(N-(2-chloroethyl)-N-propylamino)propylamino)-, trihydrochloride, 7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride, 3-(benzo[b][1,10]phenanthroline-1,12-diium-7-ylamino)propyl-(2-chloroethyl)-propylazanium trichloride, 1,3-Propanediamine, N'-benzo[b][1,10]phenanthrolin-7-yl-N-(2-chloroethyl)-N-phenyl-, trihydrochloride
| Molecular Formula | C24H30Cl4N4 |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | -5.88 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.1195 |
| Heavy Atoms | 32 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 38915-59-2 |
|---|---|
| SMILES | CCC[NH+](CCCNC1=C2C=CC3=C(C2=[NH+]C4=CC=CC=C41)[NH+]=CC=C3)CCCl.[Cl-].[Cl-].[Cl-] |
| InChIKey | PGSWPAFPWLYZJI-UHFFFAOYSA-N |
Product Overview
ICR 394 (CAS 38915-59-2), with molecular formula C24H30Cl4N4 and molecular weight 514.12 g/mol. IUPAC: 3-(benzo[b][1,10]phenanthroline-1,12-diium-7-ylamino)propyl-(2-chloroethyl)-propylazanium trichloride.
Chemical Property Profile of ICR 394
Property Insights of ICR 394
The XLogP value of -5.88 indicates that ICR 394 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, ICR 394 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 394 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ICR 394?
The CAS number of ICR 394 is 38915-59-2.
What is the molecular formula of ICR 394?
The molecular formula of ICR 394 is C24H30Cl4N4.
What is the molecular weight of ICR 394?
The molecular weight of ICR 394 is 514.12 g/mol.
Where can I buy ICR 394?
You can request a quote for ICR 394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 394?
Yes, KEHONG BIO provides custom synthesis services for ICR 394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.