RefChem:77109
TL;DR: RefChem:77109 (CAS 70942-44-8) is a chemical compound with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium acetate
Also Known As: (Methacrylamidopropyl)(hydroxyethyl)dimethylammonium acetate, dimethyl[3-[amino]propyl]ammoniumacetate, dimethyl[3-[ amino]propyl]ammoniumacetate, 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-[(2-methyl-1-oxo-2-propenyl)amino]-, acetate (salt), 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((2-methyl-1-oxo-2-propen-1-yl)amino)-, acetate (1:1)
| Molecular Formula | C13H26N2O4 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | -1.1063 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.18927 |
| Heavy Atoms | 19 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 70942-44-8 |
|---|---|
| SMILES | CC(=C)C(=O)NCCC[N+](C)(C)CCO.CC(=O)[O-] |
| InChIKey | WRBVKMYJZLKWCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:77109 (CAS 70942-44-8), with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol. IUPAC: 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium acetate.
Chemical Property Profile of RefChem:77109
Property Insights of RefChem:77109
The XLogP value of -1.1063 indicates that RefChem:77109 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77109. Following Lipinski's Rule of Five, RefChem:77109 has 2 hydrogen bond donor(s) and 4 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 RefChem:77109?
The CAS number of RefChem:77109 is 70942-44-8.
What is the molecular formula of RefChem:77109?
The molecular formula of RefChem:77109 is C13H26N2O4.
What is the molecular weight of RefChem:77109?
The molecular weight of RefChem:77109 is 274.19 g/mol.
Where can I buy RefChem:77109?
You can request a quote for RefChem:77109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77109?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.