Benzyltributylammonium chloride
TL;DR: Benzyltributylammonium chloride (CAS 55700-01-1) is a chemical compound with molecular formula C19H34ClN and molecular weight 311.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(tributyl)azanium chloride
Also Known As: Benzyltributylammonium chloride, N-Benzyl-N,N-dibutylbutan-1-aminium chloride, Benzyltri-n-butylammonium chloride, benzyl-tributyl-azanium, Benzyl tributyl ammonium chloride
| Molecular Formula | C19H34ClN |
|---|---|
| Molecular Weight | 311.24 g/mol |
| LogP | 2.4077 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.23798 |
| Heavy Atoms | 21 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 55700-01-1 |
|---|---|
| SMILES | CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Cl-] |
| InChIKey | VJGNLOIQCWLBJR-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyltributylammonium chloride (CAS 55700-01-1), with molecular formula C19H34ClN and molecular weight 311.24 g/mol. IUPAC: benzyl(tributyl)azanium chloride.
Chemical Property Profile of Benzyltributylammonium chloride
Property Insights of Benzyltributylammonium chloride
The XLogP value of 2.4077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyltributylammonium chloride. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyltributylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyltributylammonium 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 Benzyltributylammonium chloride?
The CAS number of Benzyltributylammonium chloride is 55700-01-1.
What is the molecular formula of Benzyltributylammonium chloride?
The molecular formula of Benzyltributylammonium chloride is C19H34ClN.
What is the molecular weight of Benzyltributylammonium chloride?
The molecular weight of Benzyltributylammonium chloride is 311.24 g/mol.
Where can I buy Benzyltributylammonium chloride?
You can request a quote for Benzyltributylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyltributylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyltributylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.