Benzyldimethylstearylammonium chloride
TL;DR: Benzyldimethylstearylammonium chloride (CAS 122-19-0) is a chemical compound with molecular formula C27H50ClN and molecular weight 423.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-octadecylazanium chloride
Also Known As: Stearalkonium chloride, Stedbac, Stebac, Stearyldimethylbenzylammonium chloride, Orthosan MB
| Molecular Formula | C27H50ClN |
|---|---|
| Molecular Weight | 423.36 g/mol |
| LogP | 5.53 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 19 |
| Exact Mass | 423.3632 |
| Heavy Atoms | 29 |
| Complexity | 316.0 |
| Boiling Point | DECOMP @ 120 °C |
| Density | greater than 1.1 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 122-19-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | SFVFIFLLYFPGHH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyldimethylstearylammonium chloride (CAS 122-19-0), with molecular formula C27H50ClN and molecular weight 423.36 g/mol. IUPAC: benzyl-dimethyl-octadecylazanium chloride.
Chemical Property Profile of Benzyldimethylstearylammonium chloride
Property Insights of Benzyldimethylstearylammonium chloride
The XLogP value of 5.53 indicates that Benzyldimethylstearylammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyldimethylstearylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldimethylstearylammonium chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyldimethylstearylammonium chloride?
The CAS number of Benzyldimethylstearylammonium chloride is 122-19-0.
What is the molecular formula of Benzyldimethylstearylammonium chloride?
The molecular formula of Benzyldimethylstearylammonium chloride is C27H50ClN.
What is the molecular weight of Benzyldimethylstearylammonium chloride?
The molecular weight of Benzyldimethylstearylammonium chloride is 423.36 g/mol.
Where can I buy Benzyldimethylstearylammonium chloride?
You can request a quote for Benzyldimethylstearylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldimethylstearylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyldimethylstearylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.