![2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide structure](/static/products/868/868255-48-5.png)
2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
TL;DR: 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide (CAS 868255-48-5) is a chemical compound with molecular formula C25H22ClFN4OS and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide, 2-[[5-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide, 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
| Molecular Formula | C25H22ClFN4OS |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 6.581 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.11868 |
| Heavy Atoms | 33 |
| Complexity | 1256.4044 |
Chemical Identifiers
| CAS Number | 868255-48-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl |
Product Overview
2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide (CAS 868255-48-5), with molecular formula C25H22ClFN4OS and molecular weight 480.12 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
Property Insights of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
The XLogP value of 6.581 indicates that 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)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-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide?
The CAS number of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide is 868255-48-5.
What is the molecular formula of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide?
The molecular formula of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide is C25H22ClFN4OS.
What is the molecular weight of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide?
The molecular weight of 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide is 480.12 g/mol.
Where can I buy 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide?
You can request a quote for 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)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-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(3-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.