2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid
TL;DR: 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid (CAS 219315-98-7) is a chemical compound with molecular formula C60H111NO9S and molecular weight 1021.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1,3-bis[[(Z)-octadec-9-enoyl]oxy]-2-[[(Z)-octadec-9-enoyl]oxymethyl]propan-2-yl]amino]ethanesulfonic acid
Also Known As: Prorelief LS-1, Tris-oleoyltromethamine ethane sulfonic acid, Tris-oleoyltromethamine ethane sulfonic acid [INCI], 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid, 2-[tris(oleoyloxymethyl) methylamino] 1-ethanesulfonic acid
| Molecular Formula | C60H111NO9S |
|---|---|
| Molecular Weight | 1021.80 g/mol |
| LogP | 16.9447 |
| Topological Polar Surface Area | 145.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 55 |
| Exact Mass | 1021.798 |
| Heavy Atoms | 71 |
| Complexity | 1275.7891 |
Chemical Identifiers
| CAS Number | 219315-98-7 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(NCCS(=O)(=O)O)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid (CAS 219315-98-7), with molecular formula C60H111NO9S and molecular weight 1021.80 g/mol. IUPAC: 2-[[1,3-bis[[(Z)-octadec-9-enoyl]oxy]-2-[[(Z)-octadec-9-enoyl]oxymethyl]propan-2-yl]amino]ethanesulfonic acid.
Chemical Property Profile of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid
Property Insights of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid
The XLogP value of 16.9447 indicates that 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.3 Ų indicates high polarity, suggesting 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid?
The CAS number of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid is 219315-98-7.
What is the molecular formula of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid?
The molecular formula of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid is C60H111NO9S.
What is the molecular weight of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid?
The molecular weight of 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid is 1021.80 g/mol.
Where can I buy 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid?
You can request a quote for 2-(Tris(oleoyloxymethyl)methylamino)-1-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-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.