![3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/104/1042671-33-9.png)
3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 1042671-33-9) is a chemical compound with molecular formula C14H12N6OS and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, {[3-(3-methylpyrazol-5-yl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl]methox y}benzene, 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(5-methyl-1H-pyrazol-3-yl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-methyl-5-[6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1H-pyrazole
| Molecular Formula | C14H12N6OS |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 2.46332 |
| Topological Polar Surface Area | 80.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0793 |
| Heavy Atoms | 22 |
| Complexity | 909.871 |
Chemical Identifiers
| CAS Number | 1042671-33-9 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(S3)COC4=CC=CC=C4 |
Product Overview
3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 1042671-33-9), with molecular formula C14H12N6OS and molecular weight 312.08 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 2.46332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 80.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 1 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-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 1042671-33-9.
What is the molecular formula of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C14H12N6OS.
What is the molecular weight of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 312.08 g/mol.
Where can I buy 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[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-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methyl-1H-pyrazol-5-yl)-6-(phenoxymethyl)[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.