Benzyltriethylammonium iodide
TL;DR: Benzyltriethylammonium iodide (CAS 5400-94-2) is a chemical compound with molecular formula C13H22IN and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(triethyl)azanium iodide
Also Known As: Benzyltriethylammonium iodide, N-Benzyl-N,N-diethylethanaminium iodide, benzyl(triethyl)azanium;iodide, triethylbenzylammonium iodide, benzyl(triethyl)azanium iodide
| Molecular Formula | C13H22IN |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 0.07 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0797 |
| Heavy Atoms | 15 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 5400-94-2 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=CC=CC=C1.[I-] |
| InChIKey | JWLJBISFJGEYMT-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyltriethylammonium iodide (CAS 5400-94-2), with molecular formula C13H22IN and molecular weight 319.08 g/mol. IUPAC: benzyl(triethyl)azanium iodide.
Chemical Property Profile of Benzyltriethylammonium iodide
Property Insights of Benzyltriethylammonium iodide
The XLogP value of 0.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyltriethylammonium iodide. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyltriethylammonium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyltriethylammonium iodide 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 Benzyltriethylammonium iodide?
The CAS number of Benzyltriethylammonium iodide is 5400-94-2.
What is the molecular formula of Benzyltriethylammonium iodide?
The molecular formula of Benzyltriethylammonium iodide is C13H22IN.
What is the molecular weight of Benzyltriethylammonium iodide?
The molecular weight of Benzyltriethylammonium iodide is 319.08 g/mol.
Where can I buy Benzyltriethylammonium iodide?
You can request a quote for Benzyltriethylammonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyltriethylammonium iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzyltriethylammonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.