3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
TL;DR: 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole (CAS 52747-54-3) 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.
1,6-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole, 1,6-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 3,7-DIMETHYL-1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE, 3,7-Dimethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 3,7-dimethylbenzo[4,5]thiazolo[2,3-c][1,2,4]triazole
| 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 | 0 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 52747-54-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3C(=NN=C3S2)C |
| InChIKey | GMZULTAPVYULPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole (CAS 52747-54-3), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 1,6-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Property Insights of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
The XLogP value of 3.5 indicates that 3,7-Dimethyl(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, 3,7-Dimethyl(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, 3,7-Dimethyl(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 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The CAS number of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is 52747-54-3.
What is the molecular formula of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The molecular formula of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is C10H9N3S.
What is the molecular weight of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The molecular weight of 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is 203.05 g/mol.
Where can I buy 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
You can request a quote for 3,7-Dimethyl(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 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.