![(E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate structure](/static/products/620/620540-63-8.png)
(E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate
TL;DR: (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate (CAS 620540-63-8) is a chemical compound with molecular formula C25H22BrN3O6S and molecular weight 571.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-[(E)-[3,7-dioxo-6-[(4-propoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]-6-methoxyphenyl] acetate
Also Known As: (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate, [2-bromo-4-[(E)-[3,7-dioxo-6-[(4-propoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]-6-methoxyphenyl] acetate
| Molecular Formula | C25H22BrN3O6S |
|---|---|
| Molecular Weight | 571.04 g/mol |
| LogP | 3.1349 |
| Topological Polar Surface Area | 109.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 571.04126 |
| Heavy Atoms | 36 |
| Complexity | 1597.5648 |
Chemical Identifiers
| CAS Number | 620540-63-8 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CC2=NN3C(=O)/C(=C\C4=CC(=C(C(=C4)Br)OC(=O)C)OC)/SC3=NC2=O |
Product Overview
(E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate (CAS 620540-63-8), with molecular formula C25H22BrN3O6S and molecular weight 571.04 g/mol. IUPAC: [2-bromo-4-[(E)-[3,7-dioxo-6-[(4-propoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]-6-methoxyphenyl] acetate.
Chemical Property Profile of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate
Property Insights of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate
The XLogP value of 3.1349 indicates that (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate. Following Lipinski's Rule of Five, (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate?
The CAS number of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate is 620540-63-8.
What is the molecular formula of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate?
The molecular formula of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate is C25H22BrN3O6S.
What is the molecular weight of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate?
The molecular weight of (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate is 571.04 g/mol.
Where can I buy (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate?
You can request a quote for (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-bromo-4-((3,7-dioxo-6-(4-propoxybenzyl)-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.