1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate
TL;DR: 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate (CAS 59997-83-0) is a chemical compound with molecular formula C16H33NO5S and molecular weight 351.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethoxy]-1-oxododecane-2-sulfonic acid
Also Known As: 1-(2-(DIMETHYLAMINO)ETHYL) 2-SULFODODECANOATE, J1.622.502I, 1-[2-(Dimethylamino)ethoxy]-1-oxododecane-2-sulfonic acid, 2-Sulfododecanoic acid 1-[2-(dimethylamino)ethyl] ester, 1-(2-dimethylaminoethyloxy)-1-oxododecane-2-sulfonic acid
| Molecular Formula | C16H33NO5S |
|---|---|
| Molecular Weight | 351.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 351.20795 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 59997-83-0 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)OCCN(C)C)S(=O)(=O)O |
| InChIKey | OAOAQBYLGROXNJ-UHFFFAOYSA-N |
Product Overview
1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate (CAS 59997-83-0), with molecular formula C16H33NO5S and molecular weight 351.21 g/mol. IUPAC: 1-[2-(dimethylamino)ethoxy]-1-oxododecane-2-sulfonic acid.
Chemical Property Profile of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate
Property Insights of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate. Following Lipinski's Rule of Five, 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate has 1 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-(Dimethylamino)ethyl) 2-sulfododecanoate?
The CAS number of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate is 59997-83-0.
What is the molecular formula of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate?
The molecular formula of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate is C16H33NO5S.
What is the molecular weight of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate?
The molecular weight of 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate is 351.21 g/mol.
Where can I buy 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate?
You can request a quote for 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Dimethylamino)ethyl) 2-sulfododecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.