![ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate structure](/static/products/6205/620581-39-7.webp)
ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate
TL;DR: ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate (CAS 620581-39-7) is a chemical compound with molecular formula C27H21N3O5S and molecular weight 499.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]furan-2-yl]benzoate
Also Known As: ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate, (Z)-ethyl 4-(5-((6-(4-methylbenzyl)-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)furan-2-yl)benzoate, ETHYL 4-(5-{[(2Z)-6-[(4-METHYLPHENYL)METHYL]-3,7-DIOXO-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2-YLIDENE]METHYL}FURAN-2-YL)BENZOATE, ethyl 4-[5-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]furan-2-yl]benzoate
| Molecular Formula | C27H21N3O5S |
|---|---|
| Molecular Weight | 499.12 g/mol |
| LogP | 3.39482 |
| Topological Polar Surface Area | 103.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.12018 |
| Heavy Atoms | 36 |
| Complexity | 1731.8159 |
Chemical Identifiers
| CAS Number | 620581-39-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)C)S3 |
Product Overview
ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate (CAS 620581-39-7), with molecular formula C27H21N3O5S and molecular weight 499.12 g/mol. IUPAC: ethyl 4-[5-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate
Property Insights of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate
The XLogP value of 3.39482 indicates that ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate has 0 hydrogen bond donor(s) and 8 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 ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
The CAS number of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is 620581-39-7.
What is the molecular formula of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
The molecular formula of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is C27H21N3O5S.
What is the molecular weight of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
The molecular weight of ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is 499.12 g/mol.
Where can I buy ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
You can request a quote for ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.