![methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate structure](/static/products/810/810634-81-2.png)
methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate
TL;DR: methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate (CAS 810634-81-2) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]acetate
Also Known As: methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate, (Z)-methyl 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)acetate, methyl (2Z)-2-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]acetate
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | -0.3576 |
| Topological Polar Surface Area | 82.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 1009.7531 |
Chemical Identifiers
| CAS Number | 810634-81-2 |
|---|---|
| SMILES | COC(=O)/C=C\1/C(=O)N2CN(CN=C2S1)CC3=CC4=C(C=C3)OCO4 |
Product Overview
methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate (CAS 810634-81-2), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: methyl (2Z)-2-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]acetate.
Chemical Property Profile of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate
Property Insights of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate
The XLogP value of -0.3576 indicates that methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate. Following Lipinski's Rule of Five, methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate 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 methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate?
The CAS number of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate is 810634-81-2.
What is the molecular formula of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate?
The molecular formula of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate is C16H15N3O5S.
What is the molecular weight of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate?
The molecular weight of methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate is 361.07 g/mol.
Where can I buy methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate?
You can request a quote for methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.