RefChem:196321
TL;DR: RefChem:196321 (CAS 66902-78-1) is a chemical compound with molecular formula C24H34Cl3NO2 and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Also Known As: ((4-(2-Methyl-2-butyl)-2-chlorophenoxy)ethoxyethyl)(4-chlorobenzyl)dimethylammonium chloride, Ammonium, (p-chlorobenzyl)(2-(2-(2-chloro-4-(1,1-dimethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chloride, 2-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride, BENZENEMETHANAMINIUM, 4-CHLORO-N-(2-(2-(2-CHLORO-4-(1,1-DIMETHYLPROPYL)PHENOXY)ETHOXY)ETHYL)-N,N-DIMETHYL-, CHLORIDE (1:1), AMMONIUM, (p-CHLOROBENZYL)(2-(2-(2-CHLORO-4-(1,1-DIMETHYLPROPYL)PHENOXY)ETHOXY)E
| Molecular Formula | C24H34Cl3NO2 |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 473.1655 |
| Heavy Atoms | 30 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 66902-78-1 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl)Cl.[Cl-] |
| InChIKey | ZJOAVTJFSFMZIV-UHFFFAOYSA-M |
Product Overview
RefChem:196321 (CAS 66902-78-1), with molecular formula C24H34Cl3NO2 and molecular weight 473.17 g/mol. IUPAC: 2-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:196321
Property Insights of RefChem:196321
The XLogP value of 3.36 indicates that RefChem:196321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:196321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:196321 has 0 hydrogen bond donor(s) and 3 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:196321?
The CAS number of RefChem:196321 is 66902-78-1.
What is the molecular formula of RefChem:196321?
The molecular formula of RefChem:196321 is C24H34Cl3NO2.
What is the molecular weight of RefChem:196321?
The molecular weight of RefChem:196321 is 473.17 g/mol.
Where can I buy RefChem:196321?
You can request a quote for RefChem:196321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:196321?
Yes, KEHONG BIO provides custom synthesis services for RefChem:196321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.