![3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4181/41814-59-9.webp)
3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 41814-59-9) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: 3-ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 1-ethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, J3.369.026F, 3-Ethyl-1,2,4-triazolo[3,4-b]benzothiazole, 3-Aethyl-8-thia-1.2.3a-triaza-cyclopentinden
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 41814-59-9 |
|---|---|
| SMILES | CCC1=NN=C2N1C3=CC=CC=C3S2 |
| InChIKey | RSNUETRMBWQBFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 41814-59-9), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 1-ethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 3.5 indicates that 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole has 0 hydrogen bond donor(s) and 3 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-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 41814-59-9.
What is the molecular formula of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole is C10H9N3S.
What is the molecular weight of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 203.05 g/mol.
Where can I buy 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.