2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 852145-50-7) is a chemical compound with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, N-[(furan-2-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-furfuryl[5-(3-indolyl)-4-(m-methoxyphenyl)-4H-1,2,4-triazol-3-ylthio]acetamide, N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(furan-2-ylmethyl)-2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H21N5O3S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 4.4257 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.1365 |
| Heavy Atoms | 33 |
| Complexity | 1390.4102 |
Chemical Identifiers
| CAS Number | 852145-50-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CNC5=CC=CC=C54 |
Product Overview
2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 852145-50-7), with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 4.4257 indicates that 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-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 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide has 2 hydrogen bond donor(s) and 6 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-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 852145-50-7.
What is the molecular formula of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is C24H21N5O3S.
What is the molecular weight of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 459.14 g/mol.
Where can I buy 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-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-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-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.