Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate
TL;DR: Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate (CAS 20194-81-4) is a chemical compound with molecular formula C12H29NO3PS+ and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanylethyl(triethyl)azanium
Also Known As: AMMONIUM, (2-MERCAPTOETHYL)TRIETHYL-, S-ESTER with O,O-DIETHYLPHOSPHOROTHIOATE, (2-Mercaptoethyl)triethylammonium S-ester with O,O'-diethylphosphorothioate, 2-diethoxyphosphorylsulfanylethyl(triethyl)azanium, 2-[(Diethoxyphosphoryl)sulfanyl]-N,N,N-triethylethan-1-aminium, BRN 3960359
| Molecular Formula | C12H29NO3PS+ |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 298.16058 |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 20194-81-4 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCSP(=O)(OCC)OCC |
| InChIKey | ZAFXFVAEZQMEFF-UHFFFAOYSA-N |
Product Overview
Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate (CAS 20194-81-4), with molecular formula C12H29NO3PS+ and molecular weight 298.16 g/mol. IUPAC: 2-diethoxyphosphorylsulfanylethyl(triethyl)azanium.
Chemical Property Profile of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate
Property Insights of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate. Following Lipinski's Rule of Five, Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate has 0 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 Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate?
The CAS number of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate is 20194-81-4.
What is the molecular formula of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate?
The molecular formula of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate is C12H29NO3PS+.
What is the molecular weight of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate?
The molecular weight of Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate is 298.16 g/mol.
Where can I buy Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate?
You can request a quote for Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-mercaptoethyl)triethyl-, S-ester with O,O-diethylphosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.