3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
TL;DR: 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 852145-24-5) is a chemical compound with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methoxyethyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole
Also Known As: 3-[4-(2-methoxyethyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole, F0653-0357, 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole, 3-[4-(2-methoxyethyl)-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole, 3-[4-(2-methoxyethyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole
| Molecular Formula | C20H19N5O3S |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 4.2733 |
| Topological Polar Surface Area | 98.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.12085 |
| Heavy Atoms | 29 |
| Complexity | 1153.9478 |
Chemical Identifiers
| CAS Number | 852145-24-5 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43 |
Product Overview
3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 852145-24-5), with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol. IUPAC: 3-[4-(2-methoxyethyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole.
Chemical Property Profile of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
Property Insights of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
The XLogP value of 4.2733 indicates that 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole. Following Lipinski's Rule of Five, 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole has 1 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 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The CAS number of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is 852145-24-5.
What is the molecular formula of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular formula of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is C20H19N5O3S.
What is the molecular weight of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular weight of 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is 409.12 g/mol.
Where can I buy 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
You can request a quote for 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(2-methoxyethyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.