Ammonium, benzyltriethyl-, benzoate
TL;DR: Ammonium, benzyltriethyl-, benzoate (CAS 19617-38-0) is a chemical compound with molecular formula C20H27NO2 and molecular weight 313.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(triethyl)azanium benzoate
Also Known As: Benzyltriethylammonium benzoate, AMMONIUM, BENZYLTRIETHYL-, BENZOATE, benzyl(triethyl)azanium benzoate, N-Benzyl-N,N-diethylethanaminium benzoate, RefChem:319175
| Molecular Formula | C20H27NO2 |
|---|---|
| Molecular Weight | 313.20 g/mol |
| LogP | 3.11 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.2042 |
| Heavy Atoms | 23 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 19617-38-0 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | QMRUCMVODPLIOG-UHFFFAOYSA-M |
Product Overview
Ammonium, benzyltriethyl-, benzoate (CAS 19617-38-0), with molecular formula C20H27NO2 and molecular weight 313.20 g/mol. IUPAC: benzyl(triethyl)azanium benzoate.
Chemical Property Profile of Ammonium, benzyltriethyl-, benzoate
Property Insights of Ammonium, benzyltriethyl-, benzoate
The XLogP value of 3.11 indicates that Ammonium, benzyltriethyl-, benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, Ammonium, benzyltriethyl-, benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, benzyltriethyl-, benzoate 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 Ammonium, benzyltriethyl-, benzoate?
The CAS number of Ammonium, benzyltriethyl-, benzoate is 19617-38-0.
What is the molecular formula of Ammonium, benzyltriethyl-, benzoate?
The molecular formula of Ammonium, benzyltriethyl-, benzoate is C20H27NO2.
What is the molecular weight of Ammonium, benzyltriethyl-, benzoate?
The molecular weight of Ammonium, benzyltriethyl-, benzoate is 313.20 g/mol.
Where can I buy Ammonium, benzyltriethyl-, benzoate?
You can request a quote for Ammonium, benzyltriethyl-, benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, benzyltriethyl-, benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, benzyltriethyl-, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.