C20H28ClN3.2ClH.1/2H2O
TL;DR: C20H28ClN3.2ClH.1/2H2O (CAS 78218-20-9) is a chemical compound with molecular formula C40H62Cl6N6O and molecular weight 852.31 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-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
Also Known As: C20H28ClN3.2ClH.1/2H2O, C20-H28-Cl-N3.2Cl-H.1/2H2-O, 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hemihydrate, 1,2,3,4-Tetrahydro-9-((3-((2-chloroethyl)ethylamino)propyl)amino)acridine 2HCl hemihydrate, N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine hydrate tetrahydrochloride
| Molecular Formula | C40H62Cl6N6O |
|---|---|
| Molecular Weight | 852.31 g/mol |
| LogP | 9.8151 |
| Topological Polar Surface Area | 87.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 852.31165 |
| Heavy Atoms | 53 |
| Complexity | 1481.6952 |
Chemical Identifiers
| CAS Number | 78218-20-9 |
|---|---|
| SMILES | CCN(CCCNC1=C2CCCCC2=NC3=CC=CC=C31)CCCl.CCN(CCCNC1=C2CCCCC2=NC3=CC=CC=C31)CCCl.O.Cl.Cl.Cl.Cl |
Product Overview
C20H28ClN3.2ClH.1/2H2O (CAS 78218-20-9), with molecular formula C40H62Cl6N6O and molecular weight 852.31 g/mol. IUPAC: bis(N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of C20H28ClN3.2ClH.1/2H2O
Property Insights of C20H28ClN3.2ClH.1/2H2O
The XLogP value of 9.8151 indicates that C20H28ClN3.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.82 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H28ClN3.2ClH.1/2H2O. Following Lipinski's Rule of Five, C20H28ClN3.2ClH.1/2H2O has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H28ClN3.2ClH.1/2H2O?
The CAS number of C20H28ClN3.2ClH.1/2H2O is 78218-20-9.
What is the molecular formula of C20H28ClN3.2ClH.1/2H2O?
The molecular formula of C20H28ClN3.2ClH.1/2H2O is C40H62Cl6N6O.
What is the molecular weight of C20H28ClN3.2ClH.1/2H2O?
The molecular weight of C20H28ClN3.2ClH.1/2H2O is 852.31 g/mol.
Where can I buy C20H28ClN3.2ClH.1/2H2O?
You can request a quote for C20H28ClN3.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H28ClN3.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H28ClN3.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.