Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate
TL;DR: Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate (CAS 65505-13-7) is a chemical compound with molecular formula C8H18N2O5S and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[(prop-2-enoylamino)methyl]azanium
Also Known As: Citatepine, (C7-H15-N2-O.C-H3-O4-S)x-, Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate, trimethyl[[amino]methyl]ammoniummethylsulphate, trimethyl[[ amino]methyl]ammoniummethylsulphate
| Molecular Formula | C8H18N2O5S |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | -0.9547 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09364 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 65505-13-7 |
|---|---|
| SMILES | C[N+](C)(C)CNC(=O)C=C.COS(=O)(=O)[O-] |
| InChIKey | LCDMPDGHVYVCFL-UHFFFAOYSA-N |
Product Overview
Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate (CAS 65505-13-7), with molecular formula C8H18N2O5S and molecular weight 254.09 g/mol. IUPAC: methyl sulfate;trimethyl-[(prop-2-enoylamino)methyl]azanium.
Chemical Property Profile of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate
Property Insights of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate
The XLogP value of -0.9547 indicates that Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate. Following Lipinski's Rule of Five, Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate has 1 hydrogen bond donor(s) and 5 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 Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate?
The CAS number of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate is 65505-13-7.
What is the molecular formula of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate?
The molecular formula of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate is C8H18N2O5S.
What is the molecular weight of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate?
The molecular weight of Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate is 254.09 g/mol.
Where can I buy Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate?
You can request a quote for Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl(((1-oxoallyl)amino)methyl)ammonium methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.