1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol
TL;DR: 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol (CAS 69243-49-8) is a chemical compound with molecular formula C9H7N3OS and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,4]triazolo[3,4-b][1,3]benzothiazol-8-ylmethanol
Also Known As: Isotiazofurin, starbld0021639, 5-Hydroxymethyl tricyclazole, 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol, 1,2,4-Triazolo[3,4-b]benzothiazole-5-methanol
| Molecular Formula | C9H7N3OS |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03099 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 69243-49-8 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC3=NN=CN23)CO |
| InChIKey | QHFZNYBHZQCEOU-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol (CAS 69243-49-8), with molecular formula C9H7N3OS and molecular weight 205.03 g/mol. IUPAC: [1,2,4]triazolo[3,4-b][1,3]benzothiazol-8-ylmethanol.
Chemical Property Profile of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol
Property Insights of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol has 1 hydrogen bond donor(s) and 4 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 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol?
The CAS number of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol is 69243-49-8.
What is the molecular formula of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol?
The molecular formula of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol is C9H7N3OS.
What is the molecular weight of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol?
The molecular weight of 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol is 205.03 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol?
You can request a quote for 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.