2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid
TL;DR: 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid (CAS 126584-06-3) is a chemical compound with molecular formula C20H39NO6S and molecular weight 421.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7,13-dihydroxyoctadec-2-enoylamino)ethanesulfonic acid
Also Known As: 2-[[(E)-7,13-dihydroxyoctadec-2-enoyl]amino]ethanesulfonic acid
| Molecular Formula | C20H39NO6S |
|---|---|
| Molecular Weight | 421.25 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 421.24982 |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 126584-06-3 |
|---|---|
| SMILES | CCCCCC(CCCCCC(CCCC=CC(=O)NCCS(=O)(=O)O)O)O |
| InChIKey | BUUITCQYMHVSNP-UHFFFAOYSA-N |
Product Overview
2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid (CAS 126584-06-3), with molecular formula C20H39NO6S and molecular weight 421.25 g/mol. IUPAC: 2-(7,13-dihydroxyoctadec-2-enoylamino)ethanesulfonic acid.
Chemical Property Profile of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid
Property Insights of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid. Following Lipinski's Rule of Five, 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid has 4 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 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid?
The CAS number of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid is 126584-06-3.
What is the molecular formula of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid?
The molecular formula of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid is C20H39NO6S.
What is the molecular weight of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid?
The molecular weight of 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid is 421.25 g/mol.
Where can I buy 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid?
You can request a quote for 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,13-Dihydroxyoctadec-2-enoylamino)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.