2-(Octadec-9-enoylamino)ethanesulfonic acid
TL;DR: 2-(Octadec-9-enoylamino)ethanesulfonic acid (CAS 52514-04-2) is a chemical compound with molecular formula C20H39NO4S and molecular weight 389.25998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(octadec-9-enoylamino)ethanesulfonic acid
Also Known As: N-Oleoyl Taurine, 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid, 2-[(1-oxo-9Z-octadecenyl)amino]-ethanesulfonic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H39NO4S |
| Molecular Weight | 389.25998 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 389.25998 Da |
| Heavy Atoms | 26 |
| Complexity | 455.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCS(=O)(=O)O |
| InChIKey | KOGRJTUIKPMZEJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Octadec-9-enoylamino)ethanesulfonic acid
Property Insights of 2-(Octadec-9-enoylamino)ethanesulfonic acid
The XLogP value of 5.9 indicates that 2-(Octadec-9-enoylamino)ethanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Octadec-9-enoylamino)ethanesulfonic acid. Following Lipinski's Rule of Five, 2-(Octadec-9-enoylamino)ethanesulfonic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(Octadec-9-enoylamino)ethanesulfonic acid?
The CAS number of 2-(Octadec-9-enoylamino)ethanesulfonic acid is 52514-04-2.
What is the molecular formula of 2-(Octadec-9-enoylamino)ethanesulfonic acid?
The molecular formula of 2-(Octadec-9-enoylamino)ethanesulfonic acid is C20H39NO4S.
What is the molecular weight of 2-(Octadec-9-enoylamino)ethanesulfonic acid?
The molecular weight of 2-(Octadec-9-enoylamino)ethanesulfonic acid is 389.25998 g/mol.
Where can I buy 2-(Octadec-9-enoylamino)ethanesulfonic acid?
You can request a quote for 2-(Octadec-9-enoylamino)ethanesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Octadec-9-enoylamino)ethanesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Octadec-9-enoylamino)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.