RefChem:318820
TL;DR: RefChem:318820 (CAS 56217-67-5) is a chemical compound with molecular formula C8H21NO2PS+ and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium
Also Known As: (2-Mercaptoethyl)trimethylammonium S-ester with O-ethylmethylphosphonothioate, 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium, Ammonium, (2-mercaptoethyl)trimethyl-, S-ester with O-ethylmethylphosphonothioate, 2-{[Ethoxy(methyl)phosphoryl]sulfanyl}-N,N,N-trimethylethan-1-aminium, RefChem:318820
| Molecular Formula | C8H21NO2PS+ |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.10306 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 56217-67-5 |
|---|---|
| SMILES | CCOP(=O)(C)SCC[N+](C)(C)C |
| InChIKey | MGISCEYZGHROKJ-UHFFFAOYSA-N |
Product Overview
RefChem:318820 (CAS 56217-67-5), with molecular formula C8H21NO2PS+ and molecular weight 226.10 g/mol. IUPAC: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium.
Chemical Property Profile of RefChem:318820
Property Insights of RefChem:318820
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318820. With a topological polar surface area (TPSA) of 51.6 Ų, RefChem:318820 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318820 has 0 hydrogen bond donor(s) and 3 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:318820?
The CAS number of RefChem:318820 is 56217-67-5.
What is the molecular formula of RefChem:318820?
The molecular formula of RefChem:318820 is C8H21NO2PS+.
What is the molecular weight of RefChem:318820?
The molecular weight of RefChem:318820 is 226.10 g/mol.
Where can I buy RefChem:318820?
You can request a quote for RefChem:318820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.