Triethanolammonium isononanoate
TL;DR: Triethanolammonium isononanoate (CAS 78523-80-5) is a chemical compound with molecular formula C15H33NO5 and molecular weight 307.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;7-methyloctanoic acid
Also Known As: Triethanolamine isononanoate, Triethanolammonium isononanoate, Isononanoic acid, triethanolamine salt, Isononanoic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 7-methyloctanoic acid- 2,2',2''-nitrilotriethanol(1:1)
| Molecular Formula | C15H33NO5 |
|---|---|
| Molecular Weight | 307.24 g/mol |
| LogP | 0.9428 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.23587 |
| Heavy Atoms | 21 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 78523-80-5 |
|---|---|
| SMILES | CC(C)CCCCCC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | CRXGWSUBJAEKGY-UHFFFAOYSA-N |
Product Overview
Triethanolammonium isononanoate (CAS 78523-80-5), with molecular formula C15H33NO5 and molecular weight 307.24 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;7-methyloctanoic acid.
Chemical Property Profile of Triethanolammonium isononanoate
Property Insights of Triethanolammonium isononanoate
The XLogP value of 0.9428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethanolammonium isononanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethanolammonium isononanoate. Following Lipinski's Rule of Five, Triethanolammonium isononanoate 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 Triethanolammonium isononanoate?
The CAS number of Triethanolammonium isononanoate is 78523-80-5.
What is the molecular formula of Triethanolammonium isononanoate?
The molecular formula of Triethanolammonium isononanoate is C15H33NO5.
What is the molecular weight of Triethanolammonium isononanoate?
The molecular weight of Triethanolammonium isononanoate is 307.24 g/mol.
Where can I buy Triethanolammonium isononanoate?
You can request a quote for Triethanolammonium isononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethanolammonium isononanoate?
Yes, KEHONG BIO provides custom synthesis services for Triethanolammonium isononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.