Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride
TL;DR: Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride (CAS 93893-80-2) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-diethyl-(1-prop-2-enoyloxypropan-2-yl)azanium chloride
Also Known As: EINECS 299-672-8, Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride, benzyl-diethyl-(1-prop-2-enoyloxypropan-2-yl)azanium chloride, benzyl-diethyl-(1-prop-2-enoyloxypropan-2-yl)azanium,chloride, BENZYLDIETHYL[1-METHYL-2-[(1-OXOALLYL)OXY]ETHYL]AMMONIUM CHLORIDE
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 0.1649 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 429.67606 |
Chemical Identifiers
| CAS Number | 93893-80-2 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)C(C)COC(=O)C=C.[Cl-] |
Product Overview
Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride (CAS 93893-80-2), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: benzyl-diethyl-(1-prop-2-enoyloxypropan-2-yl)azanium chloride.
Chemical Property Profile of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride
Property Insights of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride
The XLogP value of 0.1649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride 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 Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride?
The CAS number of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride is 93893-80-2.
What is the molecular formula of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride?
The molecular formula of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride is C17H26ClNO2.
What is the molecular weight of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride?
The molecular weight of Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride is 311.17 g/mol.
Where can I buy Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride?
You can request a quote for Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyldiethyl(1-methyl-2-((1-oxoallyl)oxy)ethyl)ammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.