ICR 442
TL;DR: ICR 442 (CAS 77846-96-9) 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-chloropropyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine);hydrate;tetrahydrochloride
Also Known As: ICR 442, C19H22ClN3O.2ClH.1/2H2O, C19-H22-Cl-N3-O.2Cl-H.1/2H2-O, 9-((2-((2-Chloropropyl)amino)ethyl)amino)-2-methoxyacridine dihydrochloride hemihydrate, 1,2-Ethanediamine, N-(2-chloropropyl)-N'-(2-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate
| Molecular Formula | C38H50Cl6N6O3 |
|---|---|
| Molecular Weight | 848.21 g/mol |
| LogP | 8.9133 |
| Topological Polar Surface Area | 123.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 848.2076 |
| Heavy Atoms | 53 |
| Complexity | 1830.8759 |
Chemical Identifiers
| CAS Number | 77846-96-9 |
|---|---|
| SMILES | CC(CNCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)Cl.CC(CNCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)Cl.O.Cl.Cl.Cl.Cl |
Product Overview
ICR 442 (CAS 77846-96-9), with molecular formula C38H50Cl6N6O3 and molecular weight 848.21 g/mol. IUPAC: bis(N-(2-chloropropyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of ICR 442
Property Insights of ICR 442
The XLogP value of 8.9133 indicates that ICR 442 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 442. Following Lipinski's Rule of Five, ICR 442 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 442?
The CAS number of ICR 442 is 77846-96-9.
What is the molecular formula of ICR 442?
The molecular formula of ICR 442 is C38H50Cl6N6O3.
What is the molecular weight of ICR 442?
The molecular weight of ICR 442 is 848.21 g/mol.
Where can I buy ICR 442?
You can request a quote for ICR 442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 442?
Yes, KEHONG BIO provides custom synthesis services for ICR 442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.