ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate
TL;DR: ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate (CAS 852144-29-7) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: F0653-0237, ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate, ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate, ethyl 2-[4-ethyl-5-(3-indolyl)-4H-1,2,4-triazol-3-ylthio]propionate, ethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.49 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 855.2728 |
Chemical Identifiers
| CAS Number | 852144-29-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SC(C)C(=O)OCC)C2=CNC3=CC=CC=C32 |
Product Overview
ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate (CAS 852144-29-7), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: ethyl 2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate
Property Insights of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate
The XLogP value of 3.49 indicates that ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate. Following Lipinski's Rule of Five, ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate 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-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
The CAS number of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate is 852144-29-7.
What is the molecular formula of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
The molecular formula of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate is C17H20N4O2S.
What is the molecular weight of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
The molecular weight of ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate is 344.13 g/mol.
Where can I buy ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
You can request a quote for ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.