1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)
TL;DR: 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) (CAS 68052-51-7) is a chemical compound with molecular formula C16H37NO4S and molecular weight 339.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl sulfate;tributyl(ethyl)azanium
Also Known As: Tributylethylammonium ethyl sulphate, n,n-dibutyl-n-ethylbutan-1-aminium ethyl sulfate, ethyl sulfate;tributyl(ethyl)azanium, Tributylethylammonium ethylsulfate, tributylethylammoniumethylsulphate
| Molecular Formula | C16H37NO4S |
|---|---|
| Molecular Weight | 339.24 g/mol |
| LogP | 3.71 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 339.24432 |
| Heavy Atoms | 22 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 68052-51-7 |
|---|---|
| SMILES | CCCC[N+](CC)(CCCC)CCCC.CCOS(=O)(=O)[O-] |
| InChIKey | GELDODMEEMXBIV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) (CAS 68052-51-7), with molecular formula C16H37NO4S and molecular weight 339.24 g/mol. IUPAC: ethyl sulfate;tributyl(ethyl)azanium.
Chemical Property Profile of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)
Property Insights of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)
The XLogP value of 3.71 indicates that 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1). Following Lipinski's Rule of Five, 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) has 0 hydrogen bond donor(s) and 4 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 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)?
The CAS number of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) is 68052-51-7.
What is the molecular formula of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)?
The molecular formula of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) is C16H37NO4S.
What is the molecular weight of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)?
The molecular weight of 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) is 339.24 g/mol.
Where can I buy 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)?
You can request a quote for 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanaminium, N,N-dibutyl-N-ethyl-, ethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.