![3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one structure](/static/products/1428/142818-80-2.webp)
3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
TL;DR: 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one (CAS 142818-80-2) is a chemical compound with molecular formula C17H9N3O5 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
Also Known As: BAS 01020032, 3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one, J2.095.445K, 3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one, 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazole-2-yl]coumarin
| Molecular Formula | C17H9N3O5 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.05423 |
| Heavy Atoms | 25 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 142818-80-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | HUZIGFPJWRJGLC-UHFFFAOYSA-N |
Product Overview
3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one (CAS 142818-80-2), with molecular formula C17H9N3O5 and molecular weight 335.05 g/mol. IUPAC: 3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one.
Chemical Property Profile of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
Property Insights of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one. Following Lipinski's Rule of Five, 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one 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 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
The CAS number of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one is 142818-80-2.
What is the molecular formula of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
The molecular formula of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one is C17H9N3O5.
What is the molecular weight of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
The molecular weight of 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one is 335.05 g/mol.
Where can I buy 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
You can request a quote for 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.