Benzyldimethyllaurylammonium
TL;DR: Benzyldimethyllaurylammonium (CAS 98790-49-9) is a chemical compound with molecular formula C21H36ClNO and molecular weight 353.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoyl-dodecyl-dimethylazanium chloride
Also Known As: Brbdla, Benzyldimethyllaurylammonium, Benzyldimethyllaurylammonium bromide, benzoyl-dodecyl-dimethylazanium;chloride, benzoyl-dodecyl-dimethylazanium chloride
| Molecular Formula | C21H36ClNO |
|---|---|
| Molecular Weight | 353.25 g/mol |
| LogP | 2.8281 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 353.24854 |
| Heavy Atoms | 24 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 98790-49-9 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](C)(C)C(=O)C1=CC=CC=C1.[Cl-] |
| InChIKey | PWRYHUHCAVGSJA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyldimethyllaurylammonium (CAS 98790-49-9), with molecular formula C21H36ClNO and molecular weight 353.25 g/mol. IUPAC: benzoyl-dodecyl-dimethylazanium chloride.
Chemical Property Profile of Benzyldimethyllaurylammonium
Property Insights of Benzyldimethyllaurylammonium
The XLogP value of 2.8281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyldimethyllaurylammonium. With a topological polar surface area (TPSA) of 17.1 Ų, Benzyldimethyllaurylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldimethyllaurylammonium has 0 hydrogen bond donor(s) and 2 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 Benzyldimethyllaurylammonium?
The CAS number of Benzyldimethyllaurylammonium is 98790-49-9.
What is the molecular formula of Benzyldimethyllaurylammonium?
The molecular formula of Benzyldimethyllaurylammonium is C21H36ClNO.
What is the molecular weight of Benzyldimethyllaurylammonium?
The molecular weight of Benzyldimethyllaurylammonium is 353.25 g/mol.
Where can I buy Benzyldimethyllaurylammonium?
You can request a quote for Benzyldimethyllaurylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldimethyllaurylammonium?
Yes, KEHONG BIO provides custom synthesis services for Benzyldimethyllaurylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.