![2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/7142/714281-21-7.webp)
2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 714281-21-7) is a chemical compound with molecular formula C21H20BrN5O2S and molecular weight 485.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide
Also Known As: 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide
| Molecular Formula | C21H20BrN5O2S |
|---|---|
| Molecular Weight | 485.05 g/mol |
| LogP | 3.8874 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.05212 |
| Heavy Atoms | 30 |
| Complexity | 1038.8859 |
Chemical Identifiers
| CAS Number | 714281-21-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3Br |
Product Overview
2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 714281-21-7), with molecular formula C21H20BrN5O2S and molecular weight 485.05 g/mol. IUPAC: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide.
Chemical Property Profile of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 3.8874 indicates that 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-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-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide. Following Lipinski's Rule of Five, 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-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-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide is 714281-21-7.
What is the molecular formula of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide is C21H20BrN5O2S.
What is the molecular weight of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide is 485.05 g/mol.
Where can I buy 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-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-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-{[5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.