RefChem:349279
TL;DR: RefChem:349279 (CAS 57647-41-3) is a chemical compound with molecular formula C20H24Cl3N3 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-methylamino]propyl-dimethylazanium chloride
Also Known As: Indole, 5-chloro-3-(p-chlorophenyl)-1-((3-(dimethylamino)propyl)methylamino)-, hydrochloride, 1,3-Propanediamine, N'-(5-chloro-3-(4'-chlorophenyl)-1-indolyl)-N,N-dimethyl-N'-methyl-, HCl, N'-(5-Chloro-3-(4'-chlorophenyl)-1-indolyl)-N,N-dimethyl-N'-methyl-1,3-propylenediamine HCl, 3-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-methylamino]propyl-dimethylazanium chloride, INDOLE, 5-CHLORO-3-(p-CHLOROPHENYL)-1-((3-(DIMETHYLAMINO)PROPYL)METHYLAMINO)-, H
| Molecular Formula | C20H24Cl3N3 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 12.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10358 |
| Heavy Atoms | 26 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 57647-41-3 |
|---|---|
| SMILES | C[NH+](C)CCCN(C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | KZJACFOFOFGQGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:349279 (CAS 57647-41-3), with molecular formula C20H24Cl3N3 and molecular weight 411.10 g/mol. IUPAC: 3-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-methylamino]propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:349279
Property Insights of RefChem:349279
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349279. With a topological polar surface area (TPSA) of 12.6 Ų, RefChem:349279 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349279 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349279?
The CAS number of RefChem:349279 is 57647-41-3.
What is the molecular formula of RefChem:349279?
The molecular formula of RefChem:349279 is C20H24Cl3N3.
What is the molecular weight of RefChem:349279?
The molecular weight of RefChem:349279 is 411.10 g/mol.
Where can I buy RefChem:349279?
You can request a quote for RefChem:349279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349279?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.