Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
TL;DR: Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-75-4) is a chemical compound with molecular formula C16H35NO5S and molecular weight 353.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1-(2-ethylhexoxy)-1-oxooctane-2-sulfonic acid
Also Known As: Ammonium 1-(2-ethylhexyl) 2-sulfooctanoate, alpha-Sulfo 2-ethylhexyl caprylate, ammonium salt, 1-[(2-ethylhexyl)oxy]-1-oxooctane-2-sulfonic acid ammoniate(1:1), azane; 1-(2-ethylhexoxy)-1-oxooctane-2-sulfonic acid, Ammonium 1-[(2-ethylhexyl)oxy]-1-oxooctane-2-sulfonate
| Molecular Formula | C16H35NO5S |
|---|---|
| Molecular Weight | 353.22 g/mol |
| LogP | 4.13 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 353.2236 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 67845-75-4 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.N |
| InChIKey | MCVJSIWSTNOXPO-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-75-4), with molecular formula C16H35NO5S and molecular weight 353.22 g/mol. IUPAC: azane;1-(2-ethylhexoxy)-1-oxooctane-2-sulfonic acid.
Chemical Property Profile of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
Property Insights of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
The XLogP value of 4.13 indicates that Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1). Following Lipinski's Rule of Five, Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) has 2 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 Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The CAS number of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 67845-75-4.
What is the molecular formula of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The molecular formula of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is C16H35NO5S.
What is the molecular weight of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The molecular weight of Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 353.22 g/mol.
Where can I buy Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
You can request a quote for Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (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, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.