![2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/7019/701951-69-1.webp)
2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 701951-69-1) is a chemical compound with molecular formula C28H27FN6O2S and molecular weight 530.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, 2-fluoro-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C28H27FN6O2S |
|---|---|
| Molecular Weight | 530.19 g/mol |
| LogP | 3.7773 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.19 |
| Heavy Atoms | 38 |
| Complexity | 1390.9963 |
Chemical Identifiers
| CAS Number | 701951-69-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)C5=CC=CC=C5F |
Product Overview
2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 701951-69-1), with molecular formula C28H27FN6O2S and molecular weight 530.19 g/mol. IUPAC: 2-fluoro-N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 3.7773 indicates that 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 701951-69-1.
What is the molecular formula of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is C28H27FN6O2S.
What is the molecular weight of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 530.19 g/mol.
Where can I buy 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.