1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-
TL;DR: 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- (CAS 21084-84-4) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,2,4-oxadiazol-3-one
Also Known As: 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-, 5-phenyl-1,2,4-oxadiazol-3-one, 5-Phenyl-1,2,4-oxadiazol-3(2H)-one, 1,2,4-Oxadiazol-3-ol, 5-phenyl-, 5-phenyl-2,3-dihydro-1,2,4-oxadiazol-3-one
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 21084-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=O)NO2 |
| InChIKey | INVHTFJJZGBKTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- (CAS 21084-84-4), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 5-phenyl-1,2,4-oxadiazol-3-one.
Chemical Property Profile of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-
Property Insights of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-. With a topological polar surface area (TPSA) of 50.7 Ų, 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- has 1 hydrogen bond donor(s) and 2 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 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-?
The CAS number of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- is 21084-84-4.
What is the molecular formula of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-?
The molecular formula of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- is C8H6N2O2.
What is the molecular weight of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-?
The molecular weight of 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- is 162.04 g/mol.
Where can I buy 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-?
You can request a quote for 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazol-3(2H)-one, 5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.