Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
TL;DR: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) (CAS 68856-36-0) is a chemical compound with molecular formula C13H29NO3 and molecular weight 247.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanoate;2-hydroxyethyl(trimethyl)azanium
Also Known As: Choline 2-ethylhexanoate, Choline 2-ethylhexanoate (1:1), 2-ethylhexanoate; 2-hydroxyethyl-trimethyl-azanium, 2-hydroxy-n,n,n-trimethylethanaminium 2-ethylhexanoate, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
| Molecular Formula | C13H29NO3 |
|---|---|
| Molecular Weight | 247.21 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.21474 |
| Heavy Atoms | 17 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 68856-36-0 |
|---|---|
| SMILES | CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO |
| InChIKey | XUZNXNABRSCKOA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) (CAS 68856-36-0), with molecular formula C13H29NO3 and molecular weight 247.21 g/mol. IUPAC: 2-ethylhexanoate;2-hydroxyethyl(trimethyl)azanium.
Chemical Property Profile of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
Property Insights of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1). The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1). Following Lipinski's Rule of Five, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) has 1 hydrogen bond donor(s) and 3 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 Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
The CAS number of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is 68856-36-0.
What is the molecular formula of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
The molecular formula of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is C13H29NO3.
What is the molecular weight of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
The molecular weight of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is 247.21 g/mol.
Where can I buy Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
You can request a quote for Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.