Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)
TL;DR: Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) (CAS 65059-64-5) is a chemical compound with molecular formula C31H56ClNO2 and molecular weight 509.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-bis(2-hydroxypropyl)-octadec-17-enylazanium chloride
Also Known As: Benzylbis(2-hydroxypropyl)octadecenylammonium chloride, Ammonium, benzylbis(2-hydroxypropyl)octadecenyl-, chloride, n-benzyl-n,n-bis(2-hydroxypropyl)octadec-17-en-1-aminium chloride, Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecenyl-, chloride, benzyl-bis(2-hydroxypropyl)-octadec-17-enylazanium chloride
| Molecular Formula | C31H56ClNO2 |
|---|---|
| Molecular Weight | 509.40 g/mol |
| LogP | 4.81 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 509.39996 |
| Heavy Atoms | 35 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 65059-64-5 |
|---|---|
| SMILES | CC(C[N+](CCCCCCCCCCCCCCCCC=C)(CC1=CC=CC=C1)CC(C)O)O.[Cl-] |
| InChIKey | DKILHHAIINORNY-UHFFFAOYSA-M |
Product Overview
Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) (CAS 65059-64-5), with molecular formula C31H56ClNO2 and molecular weight 509.40 g/mol. IUPAC: benzyl-bis(2-hydroxypropyl)-octadec-17-enylazanium chloride.
Chemical Property Profile of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)
Property Insights of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)
The XLogP value of 4.81 indicates that Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)?
The CAS number of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) is 65059-64-5.
What is the molecular formula of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)?
The molecular formula of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) is C31H56ClNO2.
What is the molecular weight of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)?
The molecular weight of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) is 509.40 g/mol.
Where can I buy Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)?
You can request a quote for Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecen-1-yl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.