![2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide structure](/static/products/7142/714203-90-4.webp)
2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
TL;DR: 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 714203-90-4) is a chemical compound with molecular formula C22H22FN5O2S and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
Also Known As: 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide, N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
| Molecular Formula | C22H22FN5O2S |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 3.3065 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 439.14783 |
| Heavy Atoms | 31 |
| Complexity | 1055.0647 |
Chemical Identifiers
| CAS Number | 714203-90-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=CC=C3F |
Product Overview
2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 714203-90-4), with molecular formula C22H22FN5O2S and molecular weight 439.15 g/mol. IUPAC: N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide.
Chemical Property Profile of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Property Insights of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
The XLogP value of 3.3065 indicates that 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}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-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}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-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The CAS number of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 714203-90-4.
What is the molecular formula of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular formula of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is C22H22FN5O2S.
What is the molecular weight of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular weight of 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 439.15 g/mol.
Where can I buy 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
You can request a quote for 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}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-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-{2-[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.