![2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate structure](/static/products/6205/620539-11-9.webp)
2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate
TL;DR: 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate (CAS 620539-11-9) is a chemical compound with molecular formula C23H18BrN3O5S and molecular weight 527.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-6-methoxy-4-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]phenyl] acetate
Also Known As: 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate, (Z)-2-bromo-6-methoxy-4-((6-(4-methylbenzyl)-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)phenyl acetate, [2-bromo-6-methoxy-4-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]phenyl] acetate, 2-BROMO-6-METHOXY-4-{[(2Z)-6-[(4-METHYLPHENYL)METHYL]-3,7-DIOXO-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2-YLIDENE]METHYL}PHENYL ACETATE
| Molecular Formula | C23H18BrN3O5S |
|---|---|
| Molecular Weight | 527.02 g/mol |
| LogP | 2.65452 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.0151 |
| Heavy Atoms | 33 |
| Complexity | 1543.8423 |
Chemical Identifiers
| CAS Number | 620539-11-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=NN3C(=O)/C(=C/C4=CC(=C(C(=C4)Br)OC(=O)C)OC)/SC3=NC2=O |
Product Overview
2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate (CAS 620539-11-9), with molecular formula C23H18BrN3O5S and molecular weight 527.02 g/mol. IUPAC: [2-bromo-6-methoxy-4-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate
Property Insights of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate
The XLogP value of 2.65452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate. Following Lipinski's Rule of Five, 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl 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-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate?
The CAS number of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate is 620539-11-9.
What is the molecular formula of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate?
The molecular formula of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate is C23H18BrN3O5S.
What is the molecular weight of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate?
The molecular weight of 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate is 527.02 g/mol.
Where can I buy 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate?
You can request a quote for 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl 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-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.