RefChem:371311
TL;DR: RefChem:371311 (CAS 6331-18-6) is a chemical compound with molecular formula C8H15N2O4PS and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
Also Known As: Phosphorothioic acid, O,O-diethyl S-((5-methyl-1,3,4-oxadiazol-2-yl)methyl) ester, 2-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole, O,O-Diethyl S-((5-methyl-1,3,4-oxadiazol-2-yl)methyl) phosphorothioate, o,o-diethyl s-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] phosphorothioate, BRN 0995683
| Molecular Formula | C8H15N2O4PS |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.049 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 6331-18-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC1=NN=C(O1)C |
| InChIKey | PFCFCHIEKAKJMO-UHFFFAOYSA-N |
Product Overview
RefChem:371311 (CAS 6331-18-6), with molecular formula C8H15N2O4PS and molecular weight 266.05 g/mol. IUPAC: 2-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole.
Chemical Property Profile of RefChem:371311
Property Insights of RefChem:371311
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371311. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371311. Following Lipinski's Rule of Five, RefChem:371311 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:371311?
The CAS number of RefChem:371311 is 6331-18-6.
What is the molecular formula of RefChem:371311?
The molecular formula of RefChem:371311 is C8H15N2O4PS.
What is the molecular weight of RefChem:371311?
The molecular weight of RefChem:371311 is 266.05 g/mol.
Where can I buy RefChem:371311?
You can request a quote for RefChem:371311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371311?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.