Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 7254-31-1) is a chemical compound with molecular formula C14H31NO4 and molecular weight 277.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyloctanoic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: Neodecanoic acid diethanolamine salt, Neodecanoic acid, diethanolamine salt, 7,7-dimethyloctanoic acid- 2,2'-iminodiethanol(1:1), Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1), Neodecanoic acid, compound with 2,2'-iminobis(ethanol) (1:1)
| Molecular Formula | C14H31NO4 |
|---|---|
| Molecular Weight | 277.23 g/mol |
| LogP | 1.6282 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 277.2253 |
| Heavy Atoms | 19 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 7254-31-1 |
|---|---|
| SMILES | CC(C)(C)CCCCCC(=O)O.C(CO)NCCO |
| InChIKey | YQOWBAYEWIYODB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 7254-31-1), with molecular formula C14H31NO4 and molecular weight 277.23 g/mol. IUPAC: 7,7-dimethyloctanoic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of 1.6282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neodecanoic 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 Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Neodecanoic 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 Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) is 7254-31-1.
What is the molecular formula of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) is C14H31NO4.
What is the molecular weight of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) is 277.23 g/mol.
Where can I buy Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Neodecanoic 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 Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Neodecanoic acid, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.