2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 852167-41-0) is a chemical compound with molecular formula C25H23N5O4S and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, 2-[[(5E)-4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C25H23N5O4S |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 4.4343 |
| Topological Polar Surface Area | 107.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.14706 |
| Heavy Atoms | 35 |
| Complexity | 1458.0991 |
Chemical Identifiers
| CAS Number | 852167-41-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CNC5=CC=CC=C54 |
Product Overview
2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 852167-41-0), with molecular formula C25H23N5O4S and molecular weight 489.15 g/mol. IUPAC: 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 4.4343 indicates that 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide has 2 hydrogen bond donor(s) and 7 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-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 852167-41-0.
What is the molecular formula of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is C25H23N5O4S.
What is the molecular weight of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 489.15 g/mol.
Where can I buy 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)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-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.