![Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate structure](/static/products/4888/488858-90-8.webp)
Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate
TL;DR: Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate (CAS 488858-90-8) is a chemical compound with molecular formula C11H9N3O2S2 and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate
Also Known As: ChemDiv3_004478, IDI1_022388, BRD-K96960997-001-01-8, methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate, methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetate
| Molecular Formula | C11H9N3O2S2 |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 2.2091 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0136 |
| Heavy Atoms | 18 |
| Complexity | 719.29767 |
Chemical Identifiers
| CAS Number | 488858-90-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C2N1C3=CC=CC=C3S2 |
Product Overview
Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate (CAS 488858-90-8), with molecular formula C11H9N3O2S2 and molecular weight 279.01 g/mol. IUPAC: methyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate.
Chemical Property Profile of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate
Property Insights of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate
The XLogP value of 2.2091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate. With a topological polar surface area (TPSA) of 56.49 Ų, Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate has 0 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 Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate?
The CAS number of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate is 488858-90-8.
What is the molecular formula of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate?
The molecular formula of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate is C11H9N3O2S2.
What is the molecular weight of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate?
The molecular weight of Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate is 279.01 g/mol.
Where can I buy Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate?
You can request a quote for Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.