![3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile structure](/static/products/866/866009-84-9.png)
3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
TL;DR: 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile (CAS 866009-84-9) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanenitrile
Also Known As: 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile, 3-[2-oxo-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]propanenitrile, 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanenitrile, 2-Oxo-5-(2-thienyl)-1,3,4-oxadiazole-3(2H)-propanenitrile, 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanenitrile
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 1.47848 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 532.4487 |
Chemical Identifiers
| CAS Number | 866009-84-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN(C(=O)O2)CCC#N |
Product Overview
3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile (CAS 866009-84-9), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanenitrile.
Chemical Property Profile of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
Property Insights of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
The XLogP value of 1.47848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile has 0 hydrogen bond donor(s) and 5 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 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The CAS number of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is 866009-84-9.
What is the molecular formula of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The molecular formula of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is C9H7N3O2S.
What is the molecular weight of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The molecular weight of 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is 221.03 g/mol.
Where can I buy 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
You can request a quote for 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.