![3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/895/895845-40-6.png)
3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 895845-40-6) is a chemical compound with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(4-methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-methoxybenzyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H13N5O3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 3.3604 |
| Topological Polar Surface Area | 95.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.0739 |
| Heavy Atoms | 26 |
| Complexity | 1070.1829 |
Chemical Identifiers
| CAS Number | 895845-40-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 895845-40-6), with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.3604 indicates that 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[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 95.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[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-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 895845-40-6.
What is the molecular formula of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C17H13N5O3S.
What is the molecular weight of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 367.07 g/mol.
Where can I buy 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[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-(4-Methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxybenzyl)-6-(4-nitrophenyl)[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.