Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 67038-54-4) is a chemical compound with molecular formula C12H27NO4 and molecular weight 249.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;octanoic acid
Also Known As: Octanoic acid diethanolamine salt, Caprylic acid, diethanolamine salt, octanoic acid- 2,2'-iminodiethanol(1:1), 2-(2-hydroxyethylamino)ethanol; octanoic acid, Octanoic acid, compd. with 2,2'-iminobis[ethanol] (1:1)
| Molecular Formula | C12H27NO4 |
|---|---|
| Molecular Weight | 249.19 g/mol |
| LogP | 0.9921 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 249.19402 |
| Heavy Atoms | 17 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 67038-54-4 |
|---|---|
| SMILES | CCCCCCCC(=O)O.C(CO)NCCO |
| InChIKey | YKHDBTDLVBKFDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 67038-54-4), with molecular formula C12H27NO4 and molecular weight 249.19 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;octanoic acid.
Chemical Property Profile of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of 0.9921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1). The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) has 4 hydrogen bond donor(s) and 5 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 Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) is 67038-54-4.
What is the molecular formula of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) is C12H27NO4.
What is the molecular weight of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) is 249.19 g/mol.
Where can I buy Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.