![2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide structure](/static/products/852/852167-67-0.png)
2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
TL;DR: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide (CAS 852167-67-0) is a chemical compound with molecular formula C23H18FN5O2S and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, 2-[[(5Z)-4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[[(5E)-4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C23H18FN5O2S |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 4.5562 |
| Topological Polar Surface Area | 88.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.11652 |
| Heavy Atoms | 32 |
| Complexity | 1359.0924 |
Chemical Identifiers
| CAS Number | 852167-67-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C3=NN=C(N3C4=CC=C(C=C4)F)SCC(=O)NCC5=CC=CO5 |
Product Overview
2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide (CAS 852167-67-0), with molecular formula C23H18FN5O2S and molecular weight 447.12 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Property Insights of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
The XLogP value of 4.5562 indicates that 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide 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-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide?
The CAS number of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide is 852167-67-0.
What is the molecular formula of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide?
The molecular formula of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide is C23H18FN5O2S.
What is the molecular weight of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide?
The molecular weight of 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide is 447.12 g/mol.
Where can I buy 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide?
You can request a quote for 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]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-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.