![2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide structure](/static/products/7019/701968-28-7.webp)
2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
TL;DR: 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide (CAS 701968-28-7) is a chemical compound with molecular formula C20H19BrFN5O2S and molecular weight 491.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide
Also Known As: 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide, 2-[5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide
| Molecular Formula | C20H19BrFN5O2S |
|---|---|
| Molecular Weight | 491.04 g/mol |
| LogP | 4.1116 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.0427 |
| Heavy Atoms | 30 |
| Complexity | 1044.931 |
Chemical Identifiers
| CAS Number | 701968-28-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CC(=O)NC3=CC=CC=C3 |
Product Overview
2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide (CAS 701968-28-7), with molecular formula C20H19BrFN5O2S and molecular weight 491.04 g/mol. IUPAC: 2-[5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide.
Chemical Property Profile of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
Property Insights of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
The XLogP value of 4.1116 indicates that 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide 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-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide. Following Lipinski's Rule of Five, 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide 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-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide?
The CAS number of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide is 701968-28-7.
What is the molecular formula of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide?
The molecular formula of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide is C20H19BrFN5O2S.
What is the molecular weight of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide?
The molecular weight of 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide is 491.04 g/mol.
Where can I buy 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide?
You can request a quote for 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-({2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.