ICR 230
TL;DR: ICR 230 (CAS 78232-12-9) is a chemical compound with molecular formula C42H56Cl8N6O3 and molecular weight 972.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
Also Known As: C21H25Cl2N3O.2ClH.1/2H2O, 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(2-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate, C21-H25-Cl2-N3-O.2Cl-H.1/2H2-O, 9-((3-(Bis(2-chloroethyl)amino)propyl)amino)-2-methoxyacridine dihydrochloride hemihydrate, Acridine, 9-((3-(bis(2-chloroethyl)amino)propyl)amino)-2-methoxy-, 2HCl hemihydrate
| Molecular Formula | C42H56Cl8N6O3 |
|---|---|
| Molecular Weight | 972.19 g/mol |
| LogP | 10.8189 |
| Topological Polar Surface Area | 106.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 972.1922 |
| Heavy Atoms | 59 |
| Complexity | 1928.1759 |
Chemical Identifiers
| CAS Number | 78232-12-9 |
|---|---|
| SMILES | COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCN(CCCl)CCCl.COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCN(CCCl)CCCl.O.Cl.Cl.Cl.Cl |
Product Overview
ICR 230 (CAS 78232-12-9), with molecular formula C42H56Cl8N6O3 and molecular weight 972.19 g/mol. IUPAC: bis(N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of ICR 230
Property Insights of ICR 230
The XLogP value of 10.8189 indicates that ICR 230 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 230. Following Lipinski's Rule of Five, ICR 230 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 230?
The CAS number of ICR 230 is 78232-12-9.
What is the molecular formula of ICR 230?
The molecular formula of ICR 230 is C42H56Cl8N6O3.
What is the molecular weight of ICR 230?
The molecular weight of ICR 230 is 972.19 g/mol.
Where can I buy ICR 230?
You can request a quote for ICR 230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 230?
Yes, KEHONG BIO provides custom synthesis services for ICR 230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.