RefChem:319069
TL;DR: RefChem:319069 (CAS 66902-77-0) is a chemical compound with molecular formula C21H28Cl3NO2 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Also Known As: Ammonium, (p-chlorobenzyl)(2-(2-(4-chloro-3,5-dimethylphenoxy)ethoxy)ethyl)dimethyl-, chloride, (p-Chlorobenzyl)(2-(2-(4-chloro-3,5-dimethylphenoxy)ethoxy)ethyl)dimethylammonium chloride, 2-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]-N-[(4-chlorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride, 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride, Benzenemethanaminium, 4-chloro-N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]-N,N-dimethyl-, chloride
| Molecular Formula | C21H28Cl3NO2 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.11856 |
| Heavy Atoms | 27 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 66902-77-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | SWYMQJMCINQBMB-UHFFFAOYSA-M |
Product Overview
RefChem:319069 (CAS 66902-77-0), with molecular formula C21H28Cl3NO2 and molecular weight 431.12 g/mol. IUPAC: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:319069
Property Insights of RefChem:319069
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319069. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:319069 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319069 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:319069?
The CAS number of RefChem:319069 is 66902-77-0.
What is the molecular formula of RefChem:319069?
The molecular formula of RefChem:319069 is C21H28Cl3NO2.
What is the molecular weight of RefChem:319069?
The molecular weight of RefChem:319069 is 431.12 g/mol.
Where can I buy RefChem:319069?
You can request a quote for RefChem:319069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319069?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.