RefChem:319070
TL;DR: RefChem:319070 (CAS 66902-76-9) is a chemical compound with molecular formula C29H44Cl3NO2 and molecular weight 543.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Also Known As: Ammonium, (p-chlorobenzyl)(2-(2-(6-chloro-2,4-bis(1-ethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chloride, 2-[2-[2-chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride, AMMONIUM, (p-CHLOROBENZYL)(2-(2-(6-CHLORO-2,4-BIS(1-ETHYLPROPYL)PHENOXY)ETHOXY)E, 2-{2-[2-Chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy}-N-[(4-chlorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride, Benzenemethanaminium, 4-chloro-N-[2-[2-[2-chloro-4,6-bis(1-ethylpropyl)phenoxy]ethoxy]ethyl]-N,N-dimethyl-, chloride
| Molecular Formula | C29H44Cl3NO2 |
|---|---|
| Molecular Weight | 543.24 g/mol |
| LogP | 5.48 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 543.2438 |
| Heavy Atoms | 35 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 66902-76-9 |
|---|---|
| SMILES | CCC(CC)C1=CC(=C(C(=C1)Cl)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl)C(CC)CC.[Cl-] |
| InChIKey | IIUJHNCIGNJERC-UHFFFAOYSA-M |
Product Overview
RefChem:319070 (CAS 66902-76-9), with molecular formula C29H44Cl3NO2 and molecular weight 543.24 g/mol. IUPAC: 2-[2-[2-chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:319070
Property Insights of RefChem:319070
The XLogP value of 5.48 indicates that RefChem:319070 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:319070 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319070 has 0 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:319070?
The CAS number of RefChem:319070 is 66902-76-9.
What is the molecular formula of RefChem:319070?
The molecular formula of RefChem:319070 is C29H44Cl3NO2.
What is the molecular weight of RefChem:319070?
The molecular weight of RefChem:319070 is 543.24 g/mol.
Where can I buy RefChem:319070?
You can request a quote for RefChem:319070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319070?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.