![3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol structure](/static/products/879/879455-83-1.png)
3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
TL;DR: 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol (CAS 879455-83-1) is a chemical compound with molecular formula C11H9N7OS and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one
Also Known As: 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol, 3-(benzotriazol-1-ylmethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one, 3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
| Molecular Formula | C11H9N7OS |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 0.2469 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.05893 |
| Heavy Atoms | 20 |
| Complexity | 808.0692 |
Chemical Identifiers
| CAS Number | 879455-83-1 |
|---|---|
| SMILES | C1C(=O)NN2C(=NN=C2S1)CN3C4=CC=CC=C4N=N3 |
Product Overview
3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol (CAS 879455-83-1), with molecular formula C11H9N7OS and molecular weight 287.06 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one.
Chemical Property Profile of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
Property Insights of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
The XLogP value of 0.2469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol. Following Lipinski's Rule of Five, 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol has 1 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 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol?
The CAS number of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol is 879455-83-1.
What is the molecular formula of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol?
The molecular formula of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol is C11H9N7OS.
What is the molecular weight of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol?
The molecular weight of 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol is 287.06 g/mol.
Where can I buy 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol?
You can request a quote for 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzotriazol-1-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.