RefChem:349138
TL;DR: RefChem:349138 (CAS 57665-49-3) is a chemical compound with molecular formula C26H38Cl4N4 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride
Also Known As: C26H36Cl2N4.2ClH.1/2H2O, C26-H36-Cl2-N4.2Cl-H.1/2H2-O, Indole, 1-(bis(2-(diethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride, hemihydrate, 1-(Bis(2-(diethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)indole 2HCl hemihydrate, 2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride
| Molecular Formula | C26H38Cl4N4 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | -2.59 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 548.1821 |
| Heavy Atoms | 34 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 57665-49-3 |
|---|---|
| SMILES | CC[NH+](CC)CCN(CC[NH+](CC)CC)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | OYSZKGKIXXHRJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:349138 (CAS 57665-49-3), with molecular formula C26H38Cl4N4 and molecular weight 546.19 g/mol. IUPAC: 2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride.
Chemical Property Profile of RefChem:349138
Property Insights of RefChem:349138
The XLogP value of -2.59 indicates that RefChem:349138 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, RefChem:349138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349138 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349138?
The CAS number of RefChem:349138 is 57665-49-3.
What is the molecular formula of RefChem:349138?
The molecular formula of RefChem:349138 is C26H38Cl4N4.
What is the molecular weight of RefChem:349138?
The molecular weight of RefChem:349138 is 546.19 g/mol.
Where can I buy RefChem:349138?
You can request a quote for RefChem:349138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.