![5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene structure](/static/products/840/840513-03-3.png)
5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene
TL;DR: 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene (CAS 840513-03-3) is a chemical compound with molecular formula C20H18N4O5S and molecular weight 426.10 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-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene, 6-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(benzo[d][1,3]dioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 3.0577 |
| Topological Polar Surface Area | 89.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1135.0889 |
Chemical Identifiers
| CAS Number | 840513-03-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(CS3)C4=CC5=C(C=C4)OCO5 |
Product Overview
5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene (CAS 840513-03-3), with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene
Property Insights of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene
The XLogP value of 3.0577 indicates that 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene. Following Lipinski's Rule of Five, 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene has 0 hydrogen bond donor(s) and 9 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-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene?
The CAS number of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene is 840513-03-3.
What is the molecular formula of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene?
The molecular formula of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene is C20H18N4O5S.
What is the molecular weight of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene?
The molecular weight of 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene is 426.10 g/mol.
Where can I buy 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene?
You can request a quote for 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-1,2,3-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.