RefChem:117629
TL;DR: RefChem:117629 (CAS 22616-31-5) is a chemical compound with molecular formula C25H38ClNO2 and molecular weight 419.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-bis(2-methylpropyl)-[2-(2-phenoxyethoxy)ethyl]azanium chloride
Also Known As: Ammonium, benzyldiisobutyl(2-(2-phenoxyethoxy)ethyl)-, chloride, Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-(2-(2-phenoxyethoxy)ethyl)-, chloride (1:1), Ammonium, benzyldiisobutyl[2-(2-phenoxyethoxy)ethyl]-, chloride, Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-(2-(2-phenoxyethoxy)ethyl)-, chloride, Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]-, chloride
| Molecular Formula | C25H38ClNO2 |
|---|---|
| Molecular Weight | 419.26 g/mol |
| LogP | 2.42 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 419.2591 |
| Heavy Atoms | 29 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 22616-31-5 |
|---|---|
| SMILES | CC(C)C[N+](CCOCCOC1=CC=CC=C1)(CC2=CC=CC=C2)CC(C)C.[Cl-] |
| InChIKey | ZAAVRTHHADULRN-UHFFFAOYSA-M |
Product Overview
RefChem:117629 (CAS 22616-31-5), with molecular formula C25H38ClNO2 and molecular weight 419.26 g/mol. IUPAC: benzyl-bis(2-methylpropyl)-[2-(2-phenoxyethoxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:117629
Property Insights of RefChem:117629
The XLogP value of 2.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117629. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:117629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117629 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:117629?
The CAS number of RefChem:117629 is 22616-31-5.
What is the molecular formula of RefChem:117629?
The molecular formula of RefChem:117629 is C25H38ClNO2.
What is the molecular weight of RefChem:117629?
The molecular weight of RefChem:117629 is 419.26 g/mol.
Where can I buy RefChem:117629?
You can request a quote for RefChem:117629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.