![6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/876/876885-80-2.png)
6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-80-2) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413144, AO-365/43263971, 6-(phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-isopropyl-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-Isopropyl-6-phenoxymethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.8882 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 674.3325 |
Chemical Identifiers
| CAS Number | 876885-80-2 |
|---|---|
| SMILES | CC(C)C1=NN=C2N1N=C(S2)COC3=CC=CC=C3 |
Product Overview
6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-80-2), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: 6-(phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 2.8882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. With a topological polar surface area (TPSA) of 52.31 Ų, 6-(Phenoxymethyl)-3-propan-2-yl-[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, 6-(Phenoxymethyl)-3-propan-2-yl-[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 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 876885-80-2.
What is the molecular formula of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C13H14N4OS.
What is the molecular weight of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 274.09 g/mol.
Where can I buy 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-(Phenoxymethyl)-3-propan-2-yl-[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 6-(Phenoxymethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(Phenoxymethyl)-3-propan-2-yl-[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.