![3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/842/842971-75-9.png)
3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 842971-75-9) is a chemical compound with molecular formula C18H18N4S2 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[4-(1,1-Dimethylethyl)phenyl]-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[4-(tert-butyl)phenyl]-6-(2-thienylmethyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadi azoline, 3-(4-(1,1-Dimethylethyl)phenyl)-6-(2-thienylmethyl)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazole
| Molecular Formula | C18H18N4S2 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.8026 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0973 |
| Heavy Atoms | 24 |
| Complexity | 956.9635 |
Chemical Identifiers
| CAS Number | 842971-75-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CC4=CC=CS4 |
Product Overview
3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 842971-75-9), with molecular formula C18H18N4S2 and molecular weight 354.10 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 4.8026 indicates that 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 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-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 842971-75-9.
What is the molecular formula of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C18H18N4S2.
What is the molecular weight of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 354.10 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[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-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[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.