2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole
TL;DR: 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole (CAS 459860-94-7) is a chemical compound with molecular formula C9H7FN2OS and molecular weight 210.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
Also Known As: 2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole, ASN 04363334, 2-(4-fluorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole, 2-(4-Fluoro-phenyl)-5-methylsulfanyl-[1,3,4]oxadiazole
| Molecular Formula | C9H7FN2OS |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0263 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 459860-94-7 |
|---|---|
| SMILES | CSC1=NN=C(O1)C2=CC=C(C=C2)F |
| InChIKey | JIGIGJSWGXSNCD-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole (CAS 459860-94-7), with molecular formula C9H7FN2OS and molecular weight 210.03 g/mol. IUPAC: 2-(4-fluorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole
Property Insights of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole 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-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole?
The CAS number of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole is 459860-94-7.
What is the molecular formula of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole?
The molecular formula of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole is C9H7FN2OS.
What is the molecular weight of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole?
The molecular weight of 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole is 210.03 g/mol.
Where can I buy 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole?
You can request a quote for 2-(4-Fluorophenyl)-5-(methylsulfanyl)-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-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.