ICR-172 dihydrochloride
TL;DR: ICR-172 dihydrochloride (CAS 4248-48-0) is a chemical compound with molecular formula C16H23Cl4N3 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloroethyl)-N-(7-chloroquinolin-4-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride
Also Known As: ICR-172 dihydrochloride, Quinoline, 7-chloro-4-((3-((2-chloroethyl)ethylamino)propyl)amino)-, dihydrochloride, 7-Chloro-4-(3-ethyl(2-chloroethyl)aminopropylamino)quinoline dihydrochloride, 1,3-Propanediamine, N-(2-chloroethyl)-N'-(7-chloro-4-quinolinyl)-N-ethyl-, dihydrochloride, 7-Chloro-4-[[3-[(2-chloroethyl)ethylamino]propyl]amino]quinoline dihydrochloride
| Molecular Formula | C16H23Cl4N3 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 5.0945 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.0646 |
| Heavy Atoms | 23 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 4248-48-0 |
|---|---|
| SMILES | CCN(CCCNC1=C2C=CC(=CC2=NC=C1)Cl)CCCl.Cl.Cl |
| InChIKey | KWZSHHGPHKULOT-UHFFFAOYSA-N |
Product Overview
ICR-172 dihydrochloride (CAS 4248-48-0), with molecular formula C16H23Cl4N3 and molecular weight 397.06 g/mol. IUPAC: N'-(2-chloroethyl)-N-(7-chloroquinolin-4-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride.
Chemical Property Profile of ICR-172 dihydrochloride
Property Insights of ICR-172 dihydrochloride
The XLogP value of 5.0945 indicates that ICR-172 dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, ICR-172 dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR-172 dihydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ICR-172 dihydrochloride?
The CAS number of ICR-172 dihydrochloride is 4248-48-0.
What is the molecular formula of ICR-172 dihydrochloride?
The molecular formula of ICR-172 dihydrochloride is C16H23Cl4N3.
What is the molecular weight of ICR-172 dihydrochloride?
The molecular weight of ICR-172 dihydrochloride is 397.06 g/mol.
Where can I buy ICR-172 dihydrochloride?
You can request a quote for ICR-172 dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR-172 dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ICR-172 dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.