![3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/831/831185-31-0.png)
3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 831185-31-0) is a chemical compound with molecular formula C19H13N7O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-({6-[(E)-2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzimidazole
| Molecular Formula | C19H13N7O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.6624 |
| Topological Polar Surface Area | 104.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.08514 |
| Heavy Atoms | 29 |
| Complexity | 1364.5206 |
Chemical Identifiers
| CAS Number | 831185-31-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=NN=C4N3N=C(S4)/C=C/C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 831185-31-0), with molecular formula C19H13N7O2S and molecular weight 403.09 g/mol. IUPAC: 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.6624 indicates that 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 7 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-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 831185-31-0.
What is the molecular formula of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C19H13N7O2S.
What is the molecular weight of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 403.09 g/mol.
Where can I buy 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.