RefChem:371265
TL;DR: RefChem:371265 (CAS 2544-52-7) is a chemical compound with molecular formula C8H15N2O5PS and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one
Also Known As: Phosphorothioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one, 3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one, O,O-diethyl S-[(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)methyl] phosphorothioate, BRN 1005798, RefChem:371265
| Molecular Formula | C8H15N2O5PS |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.0439 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 2544-52-7 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCN1C(=O)OC(=N1)C |
| InChIKey | BMGRCCNWEFPJON-UHFFFAOYSA-N |
Product Overview
RefChem:371265 (CAS 2544-52-7), with molecular formula C8H15N2O5PS and molecular weight 282.04 g/mol. IUPAC: 3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one.
Chemical Property Profile of RefChem:371265
Property Insights of RefChem:371265
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371265. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371265. Following Lipinski's Rule of Five, RefChem:371265 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:371265?
The CAS number of RefChem:371265 is 2544-52-7.
What is the molecular formula of RefChem:371265?
The molecular formula of RefChem:371265 is C8H15N2O5PS.
What is the molecular weight of RefChem:371265?
The molecular weight of RefChem:371265 is 282.04 g/mol.
Where can I buy RefChem:371265?
You can request a quote for RefChem:371265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371265?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.