![2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide structure](/static/products/7142/714281-83-1.webp)
2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
TL;DR: 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide (CAS 714281-83-1) is a chemical compound with molecular formula C21H19BrFN5O2S and molecular weight 503.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide, 2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
| Molecular Formula | C21H19BrFN5O2S |
|---|---|
| Molecular Weight | 503.04 g/mol |
| LogP | 4.2777 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.0427 |
| Heavy Atoms | 31 |
| Complexity | 1087.629 |
Chemical Identifiers
| CAS Number | 714281-83-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3F |
Product Overview
2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide (CAS 714281-83-1), with molecular formula C21H19BrFN5O2S and molecular weight 503.04 g/mol. IUPAC: 2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
Property Insights of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
The XLogP value of 4.2777 indicates that 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide 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-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide 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 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide?
The CAS number of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide is 714281-83-1.
What is the molecular formula of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide is C21H19BrFN5O2S.
What is the molecular weight of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide is 503.04 g/mol.
Where can I buy 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide 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-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.