![Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate structure](/static/products/405/40527-73-9.png)
Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate
TL;DR: Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate (CAS 40527-73-9) is a chemical compound with molecular formula C12H11N3O2S2 and molecular weight 293.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate
Also Known As: Maybridge3_003157, IDI1_014544, ethyl s-triazolo[3,4-b]benzothiazol-3-ylthioacetate, ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate, ethyl 2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetate
| Molecular Formula | C12H11N3O2S2 |
|---|---|
| Molecular Weight | 293.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.02927 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 40527-73-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=CC=CC=C3S2 |
| InChIKey | YRGFWTGCUMWCHK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate (CAS 40527-73-9), with molecular formula C12H11N3O2S2 and molecular weight 293.03 g/mol. IUPAC: ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate.
Chemical Property Profile of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate
Property Insights of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate
The XLogP value of 3.8 indicates that Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate. Following Lipinski's Rule of Five, Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)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 Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate?
The CAS number of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate is 40527-73-9.
What is the molecular formula of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate?
The molecular formula of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate is C12H11N3O2S2.
What is the molecular weight of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate?
The molecular weight of Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate is 293.03 g/mol.
Where can I buy Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate?
You can request a quote for Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.