![2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide structure](/static/products/638/638144-63-5.png)
2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
TL;DR: 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 638144-63-5) is a chemical compound with molecular formula C21H21FN4OS2 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[[4-prop-2-enyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, N-(4-fluorophenyl)-2-(4-prop-2-enyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl )(1,2,4-triazol-3-ylthio))acetamide, N-(4-fluorophenyl)-2-[[4-prop-2-enyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H21FN4OS2 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.9413 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.11407 |
| Heavy Atoms | 29 |
| Complexity | 1025.9832 |
Chemical Identifiers
| CAS Number | 638144-63-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3=CSC4=C3CCCC4 |
Product Overview
2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 638144-63-5), with molecular formula C21H21FN4OS2 and molecular weight 428.11 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[4-prop-2-enyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
Property Insights of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
The XLogP value of 4.9413 indicates that 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide has 1 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-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The CAS number of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is 638144-63-5.
What is the molecular formula of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is C21H21FN4OS2.
What is the molecular weight of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide is 428.11 g/mol.
Where can I buy 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-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-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.