3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate
TL;DR: 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate (CAS 90992-24-8) is a chemical compound with molecular formula C9H21ClN2O4S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethanimidoyloxyethyl-dimethyl-(3-sulfopropyl)azanium chloride
Also Known As: Daoaps, 3-(Dimethyl-2- propanesulfonate, 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate, 1-Propanaminium, N-(2-(1-iminoethoxy)ethyl)-N,N-dimethyl-3-sulfo-, chloride, 2-ethanimidoyloxyethyl-dimethyl-(3-sulfopropyl)azanium;chloride
| Molecular Formula | C9H21ClN2O4S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | -2.64153 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 288.09106 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 90992-24-8 |
|---|---|
| SMILES | CC(=N)OCC[N+](C)(C)CCCS(=O)(=O)O.[Cl-] |
| InChIKey | DWFADUPHHNCTDO-UHFFFAOYSA-N |
Product Overview
3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate (CAS 90992-24-8), with molecular formula C9H21ClN2O4S and molecular weight 288.09 g/mol. IUPAC: 2-ethanimidoyloxyethyl-dimethyl-(3-sulfopropyl)azanium chloride.
Chemical Property Profile of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate
Property Insights of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate
The XLogP value of -2.64153 indicates that 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate. Following Lipinski's Rule of Five, 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate has 2 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 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate?
The CAS number of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate is 90992-24-8.
What is the molecular formula of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate?
The molecular formula of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate is C9H21ClN2O4S.
What is the molecular weight of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate?
The molecular weight of 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate is 288.09 g/mol.
Where can I buy 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate?
You can request a quote for 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethyl-2-(acetimidoxyethyl)ammonio)propanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.