n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate
TL;DR: n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate (CAS 90870-00-1) is a chemical compound with molecular formula C45H89NO7 and molecular weight 755.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium acetate
Also Known As: Dds-acetate, Rosenthal's inhibitor, XPhos Pd G2, Rosenthal/'s inhibitor, NIOSH/BP8243850
| Molecular Formula | C45H89NO7 |
|---|---|
| Molecular Weight | 755.66 g/mol |
| LogP | 10.7893 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 41 |
| Exact Mass | 755.6639 |
| Heavy Atoms | 53 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 90870-00-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-] |
| InChIKey | DRUSFJBLMPJNIZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate (CAS 90870-00-1), with molecular formula C45H89NO7 and molecular weight 755.66 g/mol. IUPAC: 2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium acetate.
Chemical Property Profile of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate
Property Insights of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate
The XLogP value of 10.7893 indicates that n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate. Following Lipinski's Rule of Five, n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate?
The CAS number of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate is 90870-00-1.
What is the molecular formula of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate?
The molecular formula of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate is C45H89NO7.
What is the molecular weight of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate?
The molecular weight of n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate is 755.66 g/mol.
Where can I buy n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate?
You can request a quote for n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Hydroxyethyl)-n,n-dimethyl-2,3-bis(octadecanoyloxy)propan-1-aminium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.