![N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide structure](/static/products/7082/708278-76-6.webp)
N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
TL;DR: N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide (CAS 708278-76-6) is a chemical compound with molecular formula C22H21BrFN5O2S and molecular weight 517.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide, N-{[5-({2-[(4-bromo-3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
| Molecular Formula | C22H21BrFN5O2S |
|---|---|
| Molecular Weight | 517.06 g/mol |
| LogP | 4.33492 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.05835 |
| Heavy Atoms | 32 |
| Complexity | 1151.0999 |
Chemical Identifiers
| CAS Number | 708278-76-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F)Br |
Product Overview
N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide (CAS 708278-76-6), with molecular formula C22H21BrFN5O2S and molecular weight 517.06 g/mol. IUPAC: N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Property Insights of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
The XLogP value of 4.33492 indicates that N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide 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 N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide?
The CAS number of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide is 708278-76-6.
What is the molecular formula of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide?
The molecular formula of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide is C22H21BrFN5O2S.
What is the molecular weight of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide?
The molecular weight of N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide is 517.06 g/mol.
Where can I buy N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide?
You can request a quote for N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-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-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.