![6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/577/577694-83-8.png)
6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 577694-83-8) is a chemical compound with molecular formula C16H11N5O2S and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 4-[6-(2H-1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pyridine, 6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-(4-pyridyl)-7H-1,2,4-triazolo[3,4-b]1,3 ,4-thiadiazine, 6-(benzo[d][1,3]dioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C16H11N5O2S |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 2.4269 |
| Topological Polar Surface Area | 74.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.06335 |
| Heavy Atoms | 24 |
| Complexity | 954.35657 |
Chemical Identifiers
| CAS Number | 577694-83-8 |
|---|---|
| SMILES | C1C(=NN2C(=NN=C2S1)C3=CC=NC=C3)C4=CC5=C(C=C4)OCO5 |
Product Overview
6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 577694-83-8), with molecular formula C16H11N5O2S and molecular weight 337.06 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 2.4269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. The TPSA of 74.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 hydrogen bond donor(s) and 7 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 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 577694-83-8.
What is the molecular formula of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C16H11N5O2S.
What is the molecular weight of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 337.06 g/mol.
Where can I buy 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.