1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1)
TL;DR: 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) (CAS 85153-34-0) is a chemical compound with molecular formula C13H32NO4P and molecular weight 297.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl phosphate;trimethyl(octyl)azanium
Also Known As: Trimethyloctylammonium dimethyl phosphate, trimethyloctylammoniumdimethylphosphate, 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1), dimethyl phosphate,trimethyl(octyl)azanium, dimethyl phosphate;trimethyl(octyl)azanium
| Molecular Formula | C13H32NO4P |
|---|---|
| Molecular Weight | 297.21 g/mol |
| LogP | 2.8007 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 297.2069 |
| Heavy Atoms | 19 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 85153-34-0 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)C.COP(=O)([O-])OC |
| InChIKey | WCLHBKHYFYPXRV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) (CAS 85153-34-0), with molecular formula C13H32NO4P and molecular weight 297.21 g/mol. IUPAC: dimethyl phosphate;trimethyl(octyl)azanium.
Chemical Property Profile of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1)
Property Insights of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1)
The XLogP value of 2.8007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1). With a topological polar surface area (TPSA) of 58.6 Ų, 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (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-, dimethyl phosphate (1:1)?
The CAS number of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) is 85153-34-0.
What is the molecular formula of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1)?
The molecular formula of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) is C13H32NO4P.
What is the molecular weight of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1)?
The molecular weight of 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) is 297.21 g/mol.
Where can I buy 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1)?
You can request a quote for 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (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-, dimethyl phosphate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanaminium, N,N,N-trimethyl-, dimethyl phosphate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.