ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 852143-35-2) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0653-0112, ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[(5Z)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.6186 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 808.84 |
Chemical Identifiers
| CAS Number | 852143-35-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CNC3=CC=CC=C32 |
Product Overview
ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 852143-35-2), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: ethyl 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 2.6186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate has 1 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 ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is 852143-35-2.
What is the molecular formula of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is C15H16N4O2S.
What is the molecular weight of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is 316.10 g/mol.
Where can I buy ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.