ICR 401
TL;DR: ICR 401 (CAS 77846-93-6) is a chemical compound with molecular formula C40H54Cl6N6O3 and molecular weight 876.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N'-(2-chloroethyl)-N'-ethyl-N-(4-methoxyacridin-9-yl)ethane-1,2-diamine);hydrate;tetrahydrochloride
Also Known As: C20H24ClN3O.2ClH.1/2H2O, C20-H24-Cl-N3-O.2Cl-H.1/2H2-O, 1,2-Ethanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate, 9-((2-((2-Chloroethyl)ethylamino)ethyl)amino)-4-methoxyacridine dihydrochloride hemihydrate, Acridine, 9-((2-((2-chloroethyl)ethylamino)ethyl)amino)-4-methoxy-, 2HCl, hemihydrate
| Molecular Formula | C40H54Cl6N6O3 |
|---|---|
| Molecular Weight | 876.24 g/mol |
| LogP | 9.6009 |
| Topological Polar Surface Area | 106.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 876.23883 |
| Heavy Atoms | 55 |
| Complexity | 1868.1847 |
Chemical Identifiers
| CAS Number | 77846-93-6 |
|---|---|
| SMILES | CCN(CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl.CCN(CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl.O.Cl.Cl.Cl.Cl |
Product Overview
ICR 401 (CAS 77846-93-6), with molecular formula C40H54Cl6N6O3 and molecular weight 876.24 g/mol. IUPAC: bis(N'-(2-chloroethyl)-N'-ethyl-N-(4-methoxyacridin-9-yl)ethane-1,2-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of ICR 401
Property Insights of ICR 401
The XLogP value of 9.6009 indicates that ICR 401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ICR 401. Following Lipinski's Rule of Five, ICR 401 has 2 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 401?
The CAS number of ICR 401 is 77846-93-6.
What is the molecular formula of ICR 401?
The molecular formula of ICR 401 is C40H54Cl6N6O3.
What is the molecular weight of ICR 401?
The molecular weight of ICR 401 is 876.24 g/mol.
Where can I buy ICR 401?
You can request a quote for ICR 401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 401?
Yes, KEHONG BIO provides custom synthesis services for ICR 401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.