Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
TL;DR: Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-74-3) is a chemical compound with molecular formula C18H39NO5S and molecular weight 381.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1-(2-ethylhexoxy)-1-oxodecane-2-sulfonic acid
Also Known As: 2- decanoicacid2-ethylhexylester, alpha-Sulfo 2-ethylhexyl caprate, ammonium salt, 1-(2-Ethylhexyl) 2-sulfodecanoate ammonium salt, ammonium 1-[(2-ethylhexyl)oxy]-1-oxodecane-2-sulfonate, azane; 1-(2-ethylhexoxy)-1-oxodecane-2-sulfonic acid
| Molecular Formula | C18H39NO5S |
|---|---|
| Molecular Weight | 381.25 g/mol |
| LogP | 4.92 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 381.25488 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 67845-74-3 |
|---|---|
| SMILES | CCCCCCCCC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.N |
| InChIKey | BMDRTFZXYJISHD-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-74-3), with molecular formula C18H39NO5S and molecular weight 381.25 g/mol. IUPAC: azane;1-(2-ethylhexoxy)-1-oxodecane-2-sulfonic acid.
Chemical Property Profile of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
Property Insights of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)
The XLogP value of 4.92 indicates that Decanoic 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 Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1). Following Lipinski's Rule of Five, Decanoic 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 Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The CAS number of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 67845-74-3.
What is the molecular formula of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The molecular formula of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is C18H39NO5S.
What is the molecular weight of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
The molecular weight of Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 381.25 g/mol.
Where can I buy Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
You can request a quote for Decanoic 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 Decanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Decanoic 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.