5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
TL;DR: 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 121747-90-8) is a chemical compound with molecular formula C8H5FN2O2 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: Isochandalone, 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE, 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one, US11634391, Compound 84, 5-(4-fluorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one
| Molecular Formula | C8H5FN2O2 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 1.169 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03351 |
| Heavy Atoms | 13 |
| Complexity | 457.4963 |
Chemical Identifiers
| CAS Number | 121747-90-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=O)O2)F |
Product Overview
5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 121747-90-8), with molecular formula C8H5FN2O2 and molecular weight 180.03 g/mol. IUPAC: 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
Property Insights of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
The XLogP value of 1.169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one. With a topological polar surface area (TPSA) of 58.89 Ų, 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one has 1 hydrogen bond donor(s) and 3 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 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The CAS number of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one is 121747-90-8.
What is the molecular formula of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular formula of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one is C8H5FN2O2.
What is the molecular weight of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular weight of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one is 180.03 g/mol.
Where can I buy 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
You can request a quote for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.