![N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide structure](/static/products/7082/708237-85-8.webp)
N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide
TL;DR: N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 708237-85-8) is a chemical compound with molecular formula C21H21FN4OS and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide, N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C21H21FN4OS |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 4.3865 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.142 |
| Heavy Atoms | 28 |
| Complexity | 940.79926 |
Chemical Identifiers
| CAS Number | 708237-85-8 |
|---|---|
| SMILES | CC(C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3 |
Product Overview
N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 708237-85-8), with molecular formula C21H21FN4OS and molecular weight 396.14 g/mol. IUPAC: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Property Insights of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide
The XLogP value of 4.3865 indicates that N-(1-{5-[(4-fluorobenzyl)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. With a topological polar surface area (TPSA) of 59.81 Ų, N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide has 1 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 N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The CAS number of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 708237-85-8.
What is the molecular formula of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular formula of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide is C21H21FN4OS.
What is the molecular weight of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
The molecular weight of N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 396.14 g/mol.
Where can I buy N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
You can request a quote for N-(1-{5-[(4-fluorobenzyl)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 N-(1-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-{5-[(4-fluorobenzyl)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.