1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
TL;DR: 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) (CAS 78480-19-0) is a chemical compound with molecular formula C14H33NO4S and molecular weight 311.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl sulfate;trimethyl(octyl)azanium
Also Known As: Trimethyloctylammonium isopropyl sulphate, Trimethyloctylammonium, isopropyl sulfate, Trimethyloctylammonium isopropyl sulfate, 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate, propan-2-yl sulfate,trimethyl(octyl)azanium
| Molecular Formula | C14H33NO4S |
|---|---|
| Molecular Weight | 311.21 g/mol |
| LogP | 2.9247 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.21304 |
| Heavy Atoms | 20 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 78480-19-0 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-] |
| InChIKey | MECHTLVCMVFLSY-UHFFFAOYSA-M |
Product Overview
1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) (CAS 78480-19-0), with molecular formula C14H33NO4S and molecular weight 311.21 g/mol. IUPAC: propan-2-yl sulfate;trimethyl(octyl)azanium.
Chemical Property Profile of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
Property Insights of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
The XLogP value of 2.9247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1). The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1). Following Lipinski's Rule of Five, 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl 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-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
The CAS number of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) is 78480-19-0.
What is the molecular formula of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
The molecular formula of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) is C14H33NO4S.
What is the molecular weight of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
The molecular weight of 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) is 311.21 g/mol.
Where can I buy 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
You can request a quote for 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl 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-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.