三乙醇胺辛酸酯
TL;DR: 三乙醇胺辛酸酯 (CAS 67019-69-6) is a chemical compound with molecular formula C14H31NO5 and molecular weight 293.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三乙醇胺辛酸酯
2-[bis(2-hydroxyethyl)amino]ethanol;octanoic acid
Also Known As: Trolamine caprylate, Octanoic acid triethanolamine salt, triethanolamine caprylate, Caprylic acid triethanolamine salt, Octanoic acid, triethanolamine salt
| Molecular Formula | C14H31NO5 |
|---|---|
| Molecular Weight | 293.22 g/mol |
| LogP | 0.6968 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 293.2202 |
| Heavy Atoms | 20 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 67019-69-6 |
|---|---|
| SMILES | CCCCCCCC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | FMBWBTOMBLRYPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三乙醇胺辛酸酯 (CAS 67019-69-6), with molecular formula C14H31NO5 and molecular weight 293.22 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;octanoic acid.
Chemical Property Profile of 三乙醇胺辛酸酯
Property Insights of 三乙醇胺辛酸酯
The XLogP value of 0.6968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三乙醇胺辛酸酯. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 三乙醇胺辛酸酯. Following Lipinski's Rule of Five, 三乙醇胺辛酸酯 has 4 hydrogen bond donor(s) and 6 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 三乙醇胺辛酸酯?
The CAS number of 三乙醇胺辛酸酯 is 67019-69-6.
What is the molecular formula of 三乙醇胺辛酸酯?
The molecular formula of 三乙醇胺辛酸酯 is C14H31NO5.
What is the molecular weight of 三乙醇胺辛酸酯?
The molecular weight of 三乙醇胺辛酸酯 is 293.22 g/mol.
Where can I buy 三乙醇胺辛酸酯?
You can request a quote for 三乙醇胺辛酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三乙醇胺辛酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三乙醇胺辛酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.