![3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole structure](/static/products/877/877966-80-8.png)
3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
TL;DR: 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole (CAS 877966-80-8) is a chemical compound with molecular formula C15H11N5O2S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitrophenyl)methylsulfanyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazole
Also Known As: 3-((3-nitrobenzyl)thio)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazole, 1-[(3-nitrophenyl)methylsulfanyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazole, 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
| Molecular Formula | C15H11N5O2S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 3.4111 |
| Topological Polar Surface Area | 89.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.06335 |
| Heavy Atoms | 23 |
| Complexity | 1022.993 |
Chemical Identifiers
| CAS Number | 877966-80-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=NN3)SCC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole (CAS 877966-80-8), with molecular formula C15H11N5O2S and molecular weight 325.06 g/mol. IUPAC: 1-[(3-nitrophenyl)methylsulfanyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazole.
Chemical Property Profile of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Property Insights of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
The XLogP value of 3.4111 indicates that 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole. Following Lipinski's Rule of Five, 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole 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 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole?
The CAS number of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole is 877966-80-8.
What is the molecular formula of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole?
The molecular formula of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole is C15H11N5O2S.
What is the molecular weight of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole?
The molecular weight of 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole is 325.06 g/mol.
Where can I buy 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole?
You can request a quote for 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-nitrobenzyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.