C21H26ClN3O.2ClH.1/2H2O
TL;DR: C21H26ClN3O.2ClH.1/2H2O (CAS 78218-16-3) is a chemical compound with molecular formula C42H58Cl6N6O3 and molecular weight 904.27 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)propane-1,3-diamine);hydrate;tetrahydrochloride
Also Known As: C21H26ClN3O.2ClH.1/2H2O, C21-H26-Cl-N3-O.2Cl-H.1/2H2-O, 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate, Acridine, 9-((3-((2-chloroethyl)ethylamino)propyl)amino)-4-methoxy-, 2HCl, hemihydrate, 9-((3-((2-Chloroethyl)ethylamino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate
| Molecular Formula | C42H58Cl6N6O3 |
|---|---|
| Molecular Weight | 904.27 g/mol |
| LogP | 10.3811 |
| Topological Polar Surface Area | 106.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 904.27014 |
| Heavy Atoms | 57 |
| Complexity | 1901.5349 |
Chemical Identifiers
| CAS Number | 78218-16-3 |
|---|---|
| SMILES | CCN(CCCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl.CCN(CCCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl.O.Cl.Cl.Cl.Cl |
Product Overview
C21H26ClN3O.2ClH.1/2H2O (CAS 78218-16-3), with molecular formula C42H58Cl6N6O3 and molecular weight 904.27 g/mol. IUPAC: bis(N'-(2-chloroethyl)-N'-ethyl-N-(4-methoxyacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of C21H26ClN3O.2ClH.1/2H2O
Property Insights of C21H26ClN3O.2ClH.1/2H2O
The XLogP value of 10.3811 indicates that C21H26ClN3O.2ClH.1/2H2O 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 C21H26ClN3O.2ClH.1/2H2O. Following Lipinski's Rule of Five, C21H26ClN3O.2ClH.1/2H2O 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 C21H26ClN3O.2ClH.1/2H2O?
The CAS number of C21H26ClN3O.2ClH.1/2H2O is 78218-16-3.
What is the molecular formula of C21H26ClN3O.2ClH.1/2H2O?
The molecular formula of C21H26ClN3O.2ClH.1/2H2O is C42H58Cl6N6O3.
What is the molecular weight of C21H26ClN3O.2ClH.1/2H2O?
The molecular weight of C21H26ClN3O.2ClH.1/2H2O is 904.27 g/mol.
Where can I buy C21H26ClN3O.2ClH.1/2H2O?
You can request a quote for C21H26ClN3O.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H26ClN3O.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C21H26ClN3O.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.