C18H19Cl2N3O.2ClH.3/2H2O
TL;DR: C18H19Cl2N3O.2ClH.3/2H2O (CAS 78110-37-9) is a chemical compound with molecular formula C36H48Cl8N6O5 and molecular weight 924.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine);trihydrate;tetrahydrochloride
Also Known As: C18H19Cl2N3O.2ClH.3/2H2O, 1,2-Ethanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride, sesquihydrate, C18-H19-Cl2-N3-O.2Cl-H.3/2H2-O, 6-Chloro-9-((2-((2-chloroethyl)amino)ethyl)amino)-2-methoxyacridine 2HCl sesquihydrate, Acridine, 6-chloro-9-((2-((2-chloroethyl)amino)ethyl)amino)-2-methoxy-, 2HCl, sesquihydrate
| Molecular Formula | C36H48Cl8N6O5 |
|---|---|
| Molecular Weight | 924.12 g/mol |
| LogP | 7.7937 |
| Topological Polar Surface Area | 186.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 924.11945 |
| Heavy Atoms | 55 |
| Complexity | 1876.0898 |
Chemical Identifiers
| CAS Number | 78110-37-9 |
|---|---|
| SMILES | COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl.COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl.O.O.O.Cl.Cl.Cl.Cl |
Product Overview
C18H19Cl2N3O.2ClH.3/2H2O (CAS 78110-37-9), with molecular formula C36H48Cl8N6O5 and molecular weight 924.12 g/mol. IUPAC: bis(N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine);trihydrate;tetrahydrochloride.
Chemical Property Profile of C18H19Cl2N3O.2ClH.3/2H2O
Property Insights of C18H19Cl2N3O.2ClH.3/2H2O
The XLogP value of 7.7937 indicates that C18H19Cl2N3O.2ClH.3/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.86 Ų indicates high polarity, suggesting C18H19Cl2N3O.2ClH.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H19Cl2N3O.2ClH.3/2H2O 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 C18H19Cl2N3O.2ClH.3/2H2O?
The CAS number of C18H19Cl2N3O.2ClH.3/2H2O is 78110-37-9.
What is the molecular formula of C18H19Cl2N3O.2ClH.3/2H2O?
The molecular formula of C18H19Cl2N3O.2ClH.3/2H2O is C36H48Cl8N6O5.
What is the molecular weight of C18H19Cl2N3O.2ClH.3/2H2O?
The molecular weight of C18H19Cl2N3O.2ClH.3/2H2O is 924.12 g/mol.
Where can I buy C18H19Cl2N3O.2ClH.3/2H2O?
You can request a quote for C18H19Cl2N3O.2ClH.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H19Cl2N3O.2ClH.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H19Cl2N3O.2ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.