Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester (CAS 6329-48-2) is a chemical compound with molecular formula C9H17N2O4PS and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole
Also Known As: Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester, 2-(diethoxyphosphorylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole, O,O-Diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) phosphorothioate, o,o-diethyl s-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl] phosphorothioate, thiophosphoric acid O,O'-diethyl ester S-(5-ethyl-[1,3,4]oxadiazol-2-ylmethyl) ester
| Molecular Formula | C9H17N2O4PS |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.06467 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 6329-48-2 |
|---|---|
| SMILES | CCC1=NN=C(O1)CSP(=O)(OCC)OCC |
| InChIKey | CKIZKDIGAAGIME-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester (CAS 6329-48-2), with molecular formula C9H17N2O4PS and molecular weight 280.06 g/mol. IUPAC: 2-(diethoxyphosphorylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester 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 Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester is 6329-48-2.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester is C9H17N2O4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester is 280.06 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-((5-ethyl-1,3,4-oxadiazol-2-yl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.