RefChem:72919
TL;DR: RefChem:72919 (CAS 52847-42-4) is a chemical compound with molecular formula C15H34N2O10S2 and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
Also Known As: (C13-H28-N2-O2.2C-H3-O4-S)x-, 1,3-Propanediaminium, N,N,N,N',N',N'-hexamethyl-2-((2-methyl-1-oxo-2-propenyl)oxy)-, bis(methyl sulfate), 1,3-Propanediaminium, N1,N1,N1,N3,N3,N3-hexamethyl-2-((2-methyl-1-oxo-2-propen-1-yl)oxy)-, methyl sulfate (1:2), 1,3-Propanediaminium, N,N,N,N',N',N'-hexamethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, bis(methyl sulfate), 1,3-Propanediaminium, N,N,N,N',N',N'-hexamethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, bis(methyl sulfate), homopolymer
| Molecular Formula | C15H34N2O10S2 |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | -0.9273 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.1655 |
| Heavy Atoms | 29 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 52847-42-4 |
|---|---|
| SMILES | CC(=C)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | KSKSIVARDSAPQZ-UHFFFAOYSA-L |
Product Overview
RefChem:72919 (CAS 52847-42-4), with molecular formula C15H34N2O10S2 and molecular weight 466.17 g/mol. IUPAC: methyl sulfate;trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium.
Chemical Property Profile of RefChem:72919
Property Insights of RefChem:72919
The XLogP value of -0.9273 indicates that RefChem:72919 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:72919 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72919 has 0 hydrogen bond donor(s) and 10 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:72919?
The CAS number of RefChem:72919 is 52847-42-4.
What is the molecular formula of RefChem:72919?
The molecular formula of RefChem:72919 is C15H34N2O10S2.
What is the molecular weight of RefChem:72919?
The molecular weight of RefChem:72919 is 466.17 g/mol.
Where can I buy RefChem:72919?
You can request a quote for RefChem:72919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72919?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.