![2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate structure](/static/products/6205/620539-70-0.webp)
2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate
TL;DR: 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate (CAS 620539-70-0) is a chemical compound with molecular formula C22H15BrFN3O5S and molecular weight 530.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-[(Z)-[6-[(4-fluorophenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]-6-methoxyphenyl] acetate
Also Known As: 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate, (Z)-2-bromo-4-((6-(4-fluorobenzyl)-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)-6-methoxyphenyl acetate, [2-bromo-4-[(Z)-[6-[(4-fluorophenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]-6-methoxyphenyl] acetate
| Molecular Formula | C22H15BrFN3O5S |
|---|---|
| Molecular Weight | 530.99 g/mol |
| LogP | 2.4852 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.99 |
| Heavy Atoms | 33 |
| Complexity | 1549.7767 |
Chemical Identifiers
| CAS Number | 620539-70-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)CC4=CC=C(C=C4)F)S2)OC |
Product Overview
2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate (CAS 620539-70-0), with molecular formula C22H15BrFN3O5S and molecular weight 530.99 g/mol. IUPAC: [2-bromo-4-[(Z)-[6-[(4-fluorophenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]-6-methoxyphenyl] acetate.
Chemical Property Profile of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate
Property Insights of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate
The XLogP value of 2.4852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate. Following Lipinski's Rule of Five, 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate?
The CAS number of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate is 620539-70-0.
What is the molecular formula of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate?
The molecular formula of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate is C22H15BrFN3O5S.
What is the molecular weight of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate?
The molecular weight of 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate is 530.99 g/mol.
Where can I buy 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate?
You can request a quote for 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-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 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-4-{(Z)-[6-(4-fluorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-6-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.