![N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide structure](/static/products/7673/767325-60-0.webp)
N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide
TL;DR: N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide (CAS 767325-60-0) is a chemical compound with molecular formula C21H19Cl2FN4OS and molecular weight 464.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
Also Known As: N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide, N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
| Molecular Formula | C21H19Cl2FN4OS |
|---|---|
| Molecular Weight | 464.06 g/mol |
| LogP | 5.1748 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.06406 |
| Heavy Atoms | 30 |
| Complexity | 1057.2357 |
Chemical Identifiers
| CAS Number | 767325-60-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=CC=C3F |
Product Overview
N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide (CAS 767325-60-0), with molecular formula C21H19Cl2FN4OS and molecular weight 464.06 g/mol. IUPAC: N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide.
Chemical Property Profile of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide
Property Insights of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide
The XLogP value of 5.1748 indicates that N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide 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-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide?
The CAS number of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide is 767325-60-0.
What is the molecular formula of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide?
The molecular formula of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide is C21H19Cl2FN4OS.
What is the molecular weight of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide?
The molecular weight of N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide is 464.06 g/mol.
Where can I buy N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide?
You can request a quote for N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.