![2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one structure](/static/products/3214/321433-44-7.webp)
2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one
TL;DR: 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one (CAS 321433-44-7) is a chemical compound with molecular formula C22H16F2N4O2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one
Also Known As: 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one, 1J-923, 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-5-methyl-1,2,4-triazolan-3-one
| Molecular Formula | C22H16F2N4O2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 4.6801 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.12415 |
| Heavy Atoms | 30 |
| Complexity | 1271.874 |
Chemical Identifiers
| CAS Number | 321433-44-7 |
|---|---|
| SMILES | CC1(NC(=O)N(N1)C2=CC(=CC=C2)F)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)F |
Product Overview
2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one (CAS 321433-44-7), with molecular formula C22H16F2N4O2 and molecular weight 406.12 g/mol. IUPAC: 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one.
Chemical Property Profile of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one
Property Insights of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one
The XLogP value of 4.6801 indicates that 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one. Following Lipinski's Rule of Five, 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one has 2 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 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one?
The CAS number of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one is 321433-44-7.
What is the molecular formula of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one?
The molecular formula of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one is C22H16F2N4O2.
What is the molecular weight of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one?
The molecular weight of 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one is 406.12 g/mol.
Where can I buy 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one?
You can request a quote for 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-fluorophenyl)-5-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1,2,4-triazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.