1-(Prop-2-enoylamino)octadecane-1-sulfonic acid
TL;DR: 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid (CAS 93858-81-2) is a chemical compound with molecular formula C21H41NO4S and molecular weight 403.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(prop-2-enoylamino)octadecane-1-sulfonic acid
Also Known As: ((1-Oxoallyl)amino)octadecanesulphonic acid, 1-(prop-2-enoylamino)octadecane-1-sulfonic acid, Octadecanesulfonicacid, [(1-oxo-2-propenyl)amino]- (9CI)
| Molecular Formula | C21H41NO4S |
|---|---|
| Molecular Weight | 403.28 g/mol |
| LogP | 5.764 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 403.27563 |
| Heavy Atoms | 27 |
| Complexity | 476.57327 |
Chemical Identifiers
| CAS Number | 93858-81-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O |
Product Overview
1-(Prop-2-enoylamino)octadecane-1-sulfonic acid (CAS 93858-81-2), with molecular formula C21H41NO4S and molecular weight 403.28 g/mol. IUPAC: 1-(prop-2-enoylamino)octadecane-1-sulfonic acid.
Chemical Property Profile of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid
Property Insights of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid
The XLogP value of 5.764 indicates that 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid. Following Lipinski's Rule of Five, 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid?
The CAS number of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid is 93858-81-2.
What is the molecular formula of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid?
The molecular formula of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid is C21H41NO4S.
What is the molecular weight of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid?
The molecular weight of 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid is 403.28 g/mol.
Where can I buy 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid?
You can request a quote for 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(Prop-2-enoylamino)octadecane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.