RefChem:319301
TL;DR: RefChem:319301 (CAS 41294-08-0) is a chemical compound with molecular formula C15H28NO6PS2 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(3-methylphenyl)azanium;methyl sulfate
Also Known As: Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-tolyl-, methyl sulfate, Dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-tolylammonium methyl sulfate, Benzenaminium, N-(2-((ethoxymethylphosphinyl)thio)ethyl)-N,N,3-trimethyl-, methyl sulfate, 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(3-methylphenyl)azanium; methyl sulfate, N-(2-{[ethoxy(methyl)phosphoryl]sulfanyl}ethyl)-N,N,3-trimethylanilinium methyl sulfate
| Molecular Formula | C15H28NO6PS2 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 3.25 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.10956 |
| Heavy Atoms | 25 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 41294-08-0 |
|---|---|
| SMILES | CCOP(=O)(C)SCC[N+](C)(C)C1=CC=CC(=C1)C.COS(=O)(=O)[O-] |
| InChIKey | NPVFZPPTECAEGW-UHFFFAOYSA-M |
Product Overview
RefChem:319301 (CAS 41294-08-0), with molecular formula C15H28NO6PS2 and molecular weight 413.11 g/mol. IUPAC: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(3-methylphenyl)azanium;methyl sulfate.
Chemical Property Profile of RefChem:319301
Property Insights of RefChem:319301
The XLogP value of 3.25 indicates that RefChem:319301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319301. Following Lipinski's Rule of Five, RefChem:319301 has 0 hydrogen bond donor(s) and 7 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:319301?
The CAS number of RefChem:319301 is 41294-08-0.
What is the molecular formula of RefChem:319301?
The molecular formula of RefChem:319301 is C15H28NO6PS2.
What is the molecular weight of RefChem:319301?
The molecular weight of RefChem:319301 is 413.11 g/mol.
Where can I buy RefChem:319301?
You can request a quote for RefChem:319301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.