Tioxazafen
TL;DR: Tioxazafen (CAS 330459-31-9) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole
Also Known As: Tioxazafen, Tioxazafen [ISO], 3-phenyl-5-(thiophen-2-yl)-1,2,4-oxadiazole, 3-Phenyl-5-(2-thienyl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 3-phenyl-5-(2-thienyl)-
| Molecular Formula | C12H8N2OS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.03574 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 330459-31-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CS3 |
| InChIKey | IHNSIFFSNUQGQN-UHFFFAOYSA-N |
Product Overview
Tioxazafen (CAS 330459-31-9), with molecular formula C12H8N2OS and molecular weight 228.04 g/mol. IUPAC: 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole.
Chemical Property Profile of Tioxazafen
Property Insights of Tioxazafen
The XLogP value of 3.2 indicates that Tioxazafen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tioxazafen. Following Lipinski's Rule of Five, Tioxazafen has 0 hydrogen bond donor(s) and 4 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 Tioxazafen?
The CAS number of Tioxazafen is 330459-31-9.
What is the molecular formula of Tioxazafen?
The molecular formula of Tioxazafen is C12H8N2OS.
What is the molecular weight of Tioxazafen?
The molecular weight of Tioxazafen is 228.04 g/mol.
Where can I buy Tioxazafen?
You can request a quote for Tioxazafen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tioxazafen?
Yes, KEHONG BIO provides custom synthesis services for Tioxazafen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.