9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
TL;DR: 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) (CAS 6458-13-5) is a chemical compound with molecular formula C22H46BrN and molecular weight 403.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-dimethyl-octadec-9-enylazanium bromide
Also Known As: Ethyl dimethyl oleyl ammonium bromide, Oleyl dimethyl ethyl ammonium bromide, Ethyldimethyl-oleylammonium bromide, Ethyldimethyl-9-octadecenylammonium bromide, Dimethylethyl(9-octadecenyl)ammonium bromide
| Molecular Formula | C22H46BrN |
|---|---|
| Molecular Weight | 403.28 g/mol |
| LogP | 4.12 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 17 |
| Exact Mass | 403.28137 |
| Heavy Atoms | 24 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 6458-13-5 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC.[Br-] |
| InChIKey | BFDFJIJWIIIZJB-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) (CAS 6458-13-5), with molecular formula C22H46BrN and molecular weight 403.28 g/mol. IUPAC: ethyl-dimethyl-octadec-9-enylazanium bromide.
Chemical Property Profile of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
Property Insights of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
The XLogP value of 4.12 indicates that 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) has 0 hydrogen bond donor(s) and 1 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 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)?
The CAS number of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) is 6458-13-5.
What is the molecular formula of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)?
The molecular formula of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) is C22H46BrN.
What is the molecular weight of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)?
The molecular weight of 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) is 403.28 g/mol.
Where can I buy 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)?
You can request a quote for 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.