RefChem:349148
TL;DR: RefChem:349148 (CAS 57647-58-2) is a chemical compound with molecular formula C24H34Cl3FN4 and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride
Also Known As: Indole, 1-(bis(3-(dimethylamino)propyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride, 1-(Bis(3-(dimethylamino)propyl)amino)-3-(p-chlorophenyl)-5-fluoroindole dihydrochloride, 3-[[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride, RefChem:349148
| Molecular Formula | C24H34Cl3FN4 |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | -3.88 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.18332 |
| Heavy Atoms | 32 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 57647-58-2 |
|---|---|
| SMILES | C[NH+](C)CCCN(CCC[NH+](C)C)N1C=C(C2=C1C=CC(=C2)F)C3=CC=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | PYLHNORZPJGKSK-UHFFFAOYSA-N |
Product Overview
RefChem:349148 (CAS 57647-58-2), with molecular formula C24H34Cl3FN4 and molecular weight 502.18 g/mol. IUPAC: 3-[[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:349148
Property Insights of RefChem:349148
The XLogP value of -3.88 indicates that RefChem:349148 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:349148 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349148 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349148?
The CAS number of RefChem:349148 is 57647-58-2.
What is the molecular formula of RefChem:349148?
The molecular formula of RefChem:349148 is C24H34Cl3FN4.
What is the molecular weight of RefChem:349148?
The molecular weight of RefChem:349148 is 502.18 g/mol.
Where can I buy RefChem:349148?
You can request a quote for RefChem:349148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349148?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.