2-p-Nitrophenyl-oxadiazol-1,3,4-one-5
TL;DR: 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 (CAS 41125-77-3) is a chemical compound with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-2H-1,3,4-oxadiazol-5-one
Also Known As: 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5, 2-p-nitrophenyl-1,3,4-oxadiazol-5-one, 2-(4-nitrophenyl)-2H-1,3,4-oxadiazol-5-one, 5-(4-nitrophenyl)-5H-1,3,4-oxadiazol-2-one, 5-(4-Nitrophenyl)-1,3,4-oxadiazol-2(5H)-one #
| Molecular Formula | C8H5N3O4 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.028 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 41125-77-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2N=NC(=O)O2)[N+](=O)[O-] |
| InChIKey | DZFJRLKFCQDZTD-UHFFFAOYSA-N |
Product Overview
2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 (CAS 41125-77-3), with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol. IUPAC: 2-(4-nitrophenyl)-2H-1,3,4-oxadiazol-5-one.
Chemical Property Profile of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5
Property Insights of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5. Following Lipinski's Rule of Five, 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 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 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5?
The CAS number of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 is 41125-77-3.
What is the molecular formula of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5?
The molecular formula of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 is C8H5N3O4.
What is the molecular weight of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5?
The molecular weight of 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 is 207.03 g/mol.
Where can I buy 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5?
You can request a quote for 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5?
Yes, KEHONG BIO provides custom synthesis services for 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.