RefChem:1052342
TL;DR: RefChem:1052342 (CAS 54333-87-8) is a chemical compound with molecular formula C21H27Cl3N4O3 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine;trihydrochloride
Also Known As: 1,2-Ethanediamine, N,N-diethyl-N'-(2-(2-(5-nitro-2-furanyl)ethenyl)-4-quinolinyl)-, trihydrochloride, N,N-Diethyl-N'-(2-(2-(5-nitro-2-furanyl)ethenyl)-4-quinolinyl)-1,2-ethanediamine 3HCl, N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine trihydrochloride, RefChem:1052342
| Molecular Formula | C21H27Cl3N4O3 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 5.9255 |
| Topological Polar Surface Area | 84.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.11487 |
| Heavy Atoms | 31 |
| Complexity | 990.91534 |
Chemical Identifiers
| CAS Number | 54333-87-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-].Cl.Cl.Cl |
Product Overview
RefChem:1052342 (CAS 54333-87-8), with molecular formula C21H27Cl3N4O3 and molecular weight 488.11 g/mol. IUPAC: N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine;trihydrochloride.
Chemical Property Profile of RefChem:1052342
Property Insights of RefChem:1052342
The XLogP value of 5.9255 indicates that RefChem:1052342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052342. Following Lipinski's Rule of Five, RefChem:1052342 has 1 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 RefChem:1052342?
The CAS number of RefChem:1052342 is 54333-87-8.
What is the molecular formula of RefChem:1052342?
The molecular formula of RefChem:1052342 is C21H27Cl3N4O3.
What is the molecular weight of RefChem:1052342?
The molecular weight of RefChem:1052342 is 488.11 g/mol.
Where can I buy RefChem:1052342?
You can request a quote for RefChem:1052342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052342?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.