2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 852145-45-0) is a chemical compound with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)acetamide, 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[[(5Z)-5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H17N5O2S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 3.0016 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1103 |
| Heavy Atoms | 27 |
| Complexity | 1118.201 |
Chemical Identifiers
| CAS Number | 852145-45-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N)C3=CNC4=CC=CC=C43 |
Product Overview
2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 852145-45-0), with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol. IUPAC: 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)acetamide
Property Insights of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 3.0016 indicates that 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.82 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)acetamide. Following Lipinski's Rule of Five, 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)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-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 852145-45-0.
What is the molecular formula of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C19H17N5O2S.
What is the molecular weight of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 379.11 g/mol.
Where can I buy 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)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)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)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.