![3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/876/876885-95-9.png)
3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-95-9) is a chemical compound with molecular formula C12H12N4OS and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413154, AP-501/42302470, 3-methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-methyl-6-[(3-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-Methyl-6-m-tolyloxymethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C12H12N4OS |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.38164 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.07318 |
| Heavy Atoms | 18 |
| Complexity | 688.26184 |
Chemical Identifiers
| CAS Number | 876885-95-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN3C(=NN=C3S2)C |
Product Overview
3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-95-9), with molecular formula C12H12N4OS and molecular weight 260.07 g/mol. IUPAC: 3-methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 2.38164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. With a topological polar surface area (TPSA) of 52.31 Ų, 3-Methyl-6-[(3-methylphenoxy)methyl]-[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-Methyl-6-[(3-methylphenoxy)methyl]-[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-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 876885-95-9.
What is the molecular formula of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C12H12N4OS.
What is the molecular weight of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 260.07 g/mol.
Where can I buy 3-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-Methyl-6-[(3-methylphenoxy)methyl]-[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-Methyl-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-6-[(3-methylphenoxy)methyl]-[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.