ICR 391 dihydrochloride
TL;DR: ICR 391 dihydrochloride (CAS 78218-22-1) is a chemical compound with molecular formula C38H50Cl6N6O3 and molecular weight 848.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(2-chloroethyl)-N'-(4-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
Also Known As: ICR 391 dihydrochloride, 1,3-Propanediamine, N-(2-chloroethyl)-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate, C19-H22-Cl-N3-O.2Cl-H.1/2H2-O, 9-((3-((2-Chloroethyl)amino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate, Acridine, 9-((3-((2-chloroethyl)amino)propyl)amino)-4-methoxy-, dihydrochloride, hemihydrate
| Molecular Formula | C38H50Cl6N6O3 |
|---|---|
| Molecular Weight | 848.21 g/mol |
| LogP | 8.9165 |
| Topological Polar Surface Area | 123.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 848.2076 |
| Heavy Atoms | 53 |
| Complexity | 1802.588 |
Chemical Identifiers
| CAS Number | 78218-22-1 |
|---|---|
| SMILES | COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCCNCCCl.COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCCNCCCl.O.Cl.Cl.Cl.Cl |
Product Overview
ICR 391 dihydrochloride (CAS 78218-22-1), with molecular formula C38H50Cl6N6O3 and molecular weight 848.21 g/mol. IUPAC: bis(N-(2-chloroethyl)-N'-(4-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of ICR 391 dihydrochloride
Property Insights of ICR 391 dihydrochloride
The XLogP value of 8.9165 indicates that ICR 391 dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ICR 391 dihydrochloride. Following Lipinski's Rule of Five, ICR 391 dihydrochloride has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ICR 391 dihydrochloride?
The CAS number of ICR 391 dihydrochloride is 78218-22-1.
What is the molecular formula of ICR 391 dihydrochloride?
The molecular formula of ICR 391 dihydrochloride is C38H50Cl6N6O3.
What is the molecular weight of ICR 391 dihydrochloride?
The molecular weight of ICR 391 dihydrochloride is 848.21 g/mol.
Where can I buy ICR 391 dihydrochloride?
You can request a quote for ICR 391 dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 391 dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ICR 391 dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.