![1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one structure](/static/products/1105/1105221-48-4.webp)
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
TL;DR: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 1105221-48-4) is a chemical compound with molecular formula C28H25N5O2S and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 2-((4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(indolin-1-yl)ethanone, 1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone, 1-(2,3-dihydroindol-1-yl)-2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C28H25N5O2S |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 5.4957 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.17288 |
| Heavy Atoms | 36 |
| Complexity | 1539.4022 |
Chemical Identifiers
| CAS Number | 1105221-48-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)C5=CNC6=CC=CC=C65 |
Product Overview
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 1105221-48-4), with molecular formula C28H25N5O2S and molecular weight 495.17 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Property Insights of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
The XLogP value of 5.4957 indicates that 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one. Following Lipinski's Rule of Five, 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The CAS number of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 1105221-48-4.
What is the molecular formula of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The molecular formula of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is C28H25N5O2S.
What is the molecular weight of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The molecular weight of 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 495.17 g/mol.
Where can I buy 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
You can request a quote for 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.