N-Benzyl-N,N-diethylethanaminium pentachlorophenolate
TL;DR: N-Benzyl-N,N-diethylethanaminium pentachlorophenolate (CAS 73680-69-0) is a chemical compound with molecular formula C19H22Cl5NO and molecular weight 455.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(triethyl)azanium;2,3,4,5,6-pentachlorophenolate
Also Known As: Benzyltriethylammonium pentachlorophenate, AMMONIUM, BENZYLTRIETHYL-, PENTACHLOROPHENATE, N-Benzyl-N,N-diethylethanaminium pentachlorophenolate, benzyl(triethyl)azanium; 2,3,4,5,6-pentachlorophenolate, RefChem:1091602
| Molecular Formula | C19H22Cl5NO |
|---|---|
| Molecular Weight | 455.01 g/mol |
| LogP | 7.09 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.01144 |
| Heavy Atoms | 26 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 73680-69-0 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=CC=CC=C1.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-] |
| InChIKey | HPBIWRGPKOJRAK-UHFFFAOYSA-M |
Product Overview
N-Benzyl-N,N-diethylethanaminium pentachlorophenolate (CAS 73680-69-0), with molecular formula C19H22Cl5NO and molecular weight 455.01 g/mol. IUPAC: benzyl(triethyl)azanium;2,3,4,5,6-pentachlorophenolate.
Chemical Property Profile of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate
Property Insights of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate
The XLogP value of 7.09 indicates that N-Benzyl-N,N-diethylethanaminium pentachlorophenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.1 Ų, N-Benzyl-N,N-diethylethanaminium pentachlorophenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-N,N-diethylethanaminium pentachlorophenolate 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 N-Benzyl-N,N-diethylethanaminium pentachlorophenolate?
The CAS number of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate is 73680-69-0.
What is the molecular formula of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate?
The molecular formula of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate is C19H22Cl5NO.
What is the molecular weight of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate?
The molecular weight of N-Benzyl-N,N-diethylethanaminium pentachlorophenolate is 455.01 g/mol.
Where can I buy N-Benzyl-N,N-diethylethanaminium pentachlorophenolate?
You can request a quote for N-Benzyl-N,N-diethylethanaminium pentachlorophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-N,N-diethylethanaminium pentachlorophenolate?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-N,N-diethylethanaminium pentachlorophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.