2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
TL;DR: 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole (CAS 110380-42-2) is a chemical compound with molecular formula C12H7N3O3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
Also Known As: 2-(4-nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole, J1.940.977E, 5-(4-Nitrophenyl)-2-(2-thienyl)-1,3,4-oxadiazole, 2-(4-Nitrophenyl)-5-(2-thienyl)-1,3,4-oxadiazole, 2-(4-nitrophenyl)-5-(2-thienyl)-1,3,4,-oxadiazole
| Molecular Formula | C12H7N3O3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0208 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 110380-42-2 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | DHVSQLICXHFNHX-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole (CAS 110380-42-2), with molecular formula C12H7N3O3S and molecular weight 273.02 g/mol. IUPAC: 2-(4-nitrophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
Chemical Property Profile of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
Property Insights of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 6 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 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole?
The CAS number of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole is 110380-42-2.
What is the molecular formula of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole?
The molecular formula of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole is C12H7N3O3S.
What is the molecular weight of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole?
The molecular weight of 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole is 273.02 g/mol.
Where can I buy 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole?
You can request a quote for 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.