5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
TL;DR: 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole (CAS 68925-82-6) 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.
6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole, 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 5,7-Dimethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 5,7-DIMETHYL-S-TRIAZOLO(3,4-B)BENZOTHIAZOLE, AP-970/43507009
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.1 |
| 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 | 68925-82-6 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC3=NN=CN23)C |
| InChIKey | OSXXJJFPJYFCPT-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole (CAS 68925-82-6), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Property Insights of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole. With a topological polar surface area (TPSA) of 58.4 Ų, 5,7-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, 5,7-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 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The CAS number of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is 68925-82-6.
What is the molecular formula of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The molecular formula of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is C10H9N3S.
What is the molecular weight of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The molecular weight of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is 203.05 g/mol.
Where can I buy 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
You can request a quote for 5,7-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 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5,7-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.