![2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide structure](/static/products/7082/708246-09-7.webp)
2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
TL;DR: 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 708246-09-7) is a chemical compound with molecular formula C23H24FN5O2S and molecular weight 453.16 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-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide, 2-fluoro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-{[4-allyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide, 2-fluoranyl-N-[[5-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide, 2-fluoro-N-[[5-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C23H24FN5O2S |
|---|---|
| Molecular Weight | 453.16 g/mol |
| LogP | 3.5027 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.16348 |
| Heavy Atoms | 32 |
| Complexity | 1087.0006 |
Chemical Identifiers
| CAS Number | 708246-09-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F |
Product Overview
2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 708246-09-7), with molecular formula C23H24FN5O2S and molecular weight 453.16 g/mol. IUPAC: 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Property Insights of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
The XLogP value of 3.5027 indicates that 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide has 2 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-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
The CAS number of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is 708246-09-7.
What is the molecular formula of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular formula of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is C23H24FN5O2S.
What is the molecular weight of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular weight of 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is 453.16 g/mol.
Where can I buy 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
You can request a quote for 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-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-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.