1-(2-Aminoethyl) 2-sulfohexadecanoate
TL;DR: 1-(2-Aminoethyl) 2-sulfohexadecanoate (CAS 59997-74-9) is a chemical compound with molecular formula C18H37NO5S and molecular weight 379.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminoethoxy)-1-oxohexadecane-2-sulfonic acid
Also Known As: 1-(2-AMINOETHYL) 2-SULFOHEXADECANOATE, 1-(2-aminoethoxy)-1-oxohexadecane-2-sulfonic acid, J1.622.498G, 2-Sulfohexadecanoic acid 1-(2-aminoethyl) ester
| Molecular Formula | C18H37NO5S |
|---|---|
| Molecular Weight | 379.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 379.23926 |
| Heavy Atoms | 25 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 59997-74-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)OCCN)S(=O)(=O)O |
| InChIKey | STLXFPCGXYWBTO-UHFFFAOYSA-N |
Product Overview
1-(2-Aminoethyl) 2-sulfohexadecanoate (CAS 59997-74-9), with molecular formula C18H37NO5S and molecular weight 379.24 g/mol. IUPAC: 1-(2-aminoethoxy)-1-oxohexadecane-2-sulfonic acid.
Chemical Property Profile of 1-(2-Aminoethyl) 2-sulfohexadecanoate
Property Insights of 1-(2-Aminoethyl) 2-sulfohexadecanoate
The XLogP value of 3.1 indicates that 1-(2-Aminoethyl) 2-sulfohexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Aminoethyl) 2-sulfohexadecanoate. Following Lipinski's Rule of Five, 1-(2-Aminoethyl) 2-sulfohexadecanoate 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 1-(2-Aminoethyl) 2-sulfohexadecanoate?
The CAS number of 1-(2-Aminoethyl) 2-sulfohexadecanoate is 59997-74-9.
What is the molecular formula of 1-(2-Aminoethyl) 2-sulfohexadecanoate?
The molecular formula of 1-(2-Aminoethyl) 2-sulfohexadecanoate is C18H37NO5S.
What is the molecular weight of 1-(2-Aminoethyl) 2-sulfohexadecanoate?
The molecular weight of 1-(2-Aminoethyl) 2-sulfohexadecanoate is 379.24 g/mol.
Where can I buy 1-(2-Aminoethyl) 2-sulfohexadecanoate?
You can request a quote for 1-(2-Aminoethyl) 2-sulfohexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Aminoethyl) 2-sulfohexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Aminoethyl) 2-sulfohexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.