Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride
TL;DR: Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride (CAS 71975-57-0) is a chemical compound with molecular formula C26H40ClNO and molecular weight 417.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]azanium chloride
Also Known As: EINECS 276-244-9, benzyldimethyl[2- ethyl]ammoniumchloride, Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride, benzyl-dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]azanium chloride, benzyl-dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]azanium,chloride
| Molecular Formula | C26H40ClNO |
|---|---|
| Molecular Weight | 417.28 g/mol |
| LogP | 3.495 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 417.27985 |
| Heavy Atoms | 29 |
| Complexity | 671.41833 |
Chemical Identifiers
| CAS Number | 71975-57-0 |
|---|---|
| SMILES | CCCCCCC(C)CC1=CC=CC=C1OCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
Product Overview
Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride (CAS 71975-57-0), with molecular formula C26H40ClNO and molecular weight 417.28 g/mol. IUPAC: benzyl-dimethyl-[2-[2-(2-methyloctyl)phenoxy]ethyl]azanium chloride.
Chemical Property Profile of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride
Property Insights of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride
The XLogP value of 3.495 indicates that Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride has 0 hydrogen bond donor(s) and 1 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 Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride?
The CAS number of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride is 71975-57-0.
What is the molecular formula of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride?
The molecular formula of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride is C26H40ClNO.
What is the molecular weight of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride?
The molecular weight of Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride is 417.28 g/mol.
Where can I buy Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride?
You can request a quote for Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyldimethyl(2-(2-methyloctylphenoxy)ethyl)ammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.