![3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/831/831208-32-3.png)
3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 831208-32-3) is a chemical compound with molecular formula C18H13N7S and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-6-styryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-({6-[(1E)-2-PHENYLETHENYL]-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL}METHYL)-1H-1,2,3-BENZOTRIAZOLE, 1-({6-[(E)-2-phenylethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
| Molecular Formula | C18H13N7S |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 3.1492 |
| Topological Polar Surface Area | 73.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0953 |
| Heavy Atoms | 26 |
| Complexity | 1216.2894 |
Chemical Identifiers
| CAS Number | 831208-32-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4 |
Product Overview
3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 831208-32-3), with molecular formula C18H13N7S and molecular weight 359.10 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.1492 indicates that 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[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 73.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 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-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 831208-32-3.
What is the molecular formula of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C18H13N7S.
What is the molecular weight of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 359.10 g/mol.
Where can I buy 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[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-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzotriazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[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.