6-((Isononoyl)amino)hexanoic acid triethanolamine
TL;DR: 6-((Isononoyl)amino)hexanoic acid triethanolamine (CAS 85702-79-0) is a chemical compound with molecular formula C21H44N2O6 and molecular weight 420.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;6-(7-methyloctanoylamino)hexanoic acid
Also Known As: 6-((Isononoyl)amino)hexanoic acid triethanolamine, EC 288-270-8, 6-(Isononanoylamino)hexanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1), Hexanoic acid, 6-((1-oxoisononyl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), ETHANOL, 2,2',2''-NITRILOTRIS-, 6-((1-OXOISONONYL)AMINO)HEXANOATE (SALT)
| Molecular Formula | C21H44N2O6 |
|---|---|
| Molecular Weight | 420.32 g/mol |
| LogP | 1.6194 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 420.31995 |
| Heavy Atoms | 29 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 85702-79-0 |
|---|---|
| SMILES | CC(C)CCCCCC(=O)NCCCCCC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | FKSJFWVVZWWJJB-UHFFFAOYSA-N |
Product Overview
6-((Isononoyl)amino)hexanoic acid triethanolamine (CAS 85702-79-0), with molecular formula C21H44N2O6 and molecular weight 420.32 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;6-(7-methyloctanoylamino)hexanoic acid.
Chemical Property Profile of 6-((Isononoyl)amino)hexanoic acid triethanolamine
Property Insights of 6-((Isononoyl)amino)hexanoic acid triethanolamine
The XLogP value of 1.6194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((Isononoyl)amino)hexanoic acid triethanolamine. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((Isononoyl)amino)hexanoic acid triethanolamine. Following Lipinski's Rule of Five, 6-((Isononoyl)amino)hexanoic acid triethanolamine has 5 hydrogen bond donor(s) and 7 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 6-((Isononoyl)amino)hexanoic acid triethanolamine?
The CAS number of 6-((Isononoyl)amino)hexanoic acid triethanolamine is 85702-79-0.
What is the molecular formula of 6-((Isononoyl)amino)hexanoic acid triethanolamine?
The molecular formula of 6-((Isononoyl)amino)hexanoic acid triethanolamine is C21H44N2O6.
What is the molecular weight of 6-((Isononoyl)amino)hexanoic acid triethanolamine?
The molecular weight of 6-((Isononoyl)amino)hexanoic acid triethanolamine is 420.32 g/mol.
Where can I buy 6-((Isononoyl)amino)hexanoic acid triethanolamine?
You can request a quote for 6-((Isononoyl)amino)hexanoic acid triethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((Isononoyl)amino)hexanoic acid triethanolamine?
Yes, KEHONG BIO provides custom synthesis services for 6-((Isononoyl)amino)hexanoic acid triethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.