Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
TL;DR: Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-76-5) is a chemical compound with molecular formula C14H31NO5S and molecular weight 325.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1-(2-ethylhexoxy)-1-oxohexane-2-sulfonic acid
Also Known As: 2- hexanoicacid2-ethylhexylester, Ammonium 1-(2-ethylhexyl) 2-sulfohexanoate, alpha-Sulfo 2-ethylhexyl caproate, ammonium salt, 1-[(2-ethylhexyl)oxy]-1-oxohexane-2-sulfonic acid ammoniate(1:1), azane; 1-(2-ethylhexoxy)-1-oxohexane-2-sulfonic acid
| Molecular Formula | C14H31NO5S |
|---|---|
| Molecular Weight | 325.19 g/mol |
| LogP | 3.35 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 325.1923 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 67845-76-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C(CCCC)S(=O)(=O)O.N |
| InChIKey | QMGKOGVQJXAYFT-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-76-5), with molecular formula C14H31NO5S and molecular weight 325.19 g/mol. IUPAC: azane;1-(2-ethylhexoxy)-1-oxohexane-2-sulfonic acid.
Chemical Property Profile of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
Property Insights of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
The XLogP value of 3.35 indicates that Hexanoic 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 Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1). Following Lipinski's Rule of Five, Hexanoic 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 Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The CAS number of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 67845-76-5.
What is the molecular formula of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The molecular formula of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is C14H31NO5S.
What is the molecular weight of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The molecular weight of Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 325.19 g/mol.
Where can I buy Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
You can request a quote for Hexanoic 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 Hexanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic 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.