![methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate structure](/static/products/7252/725219-03-4.webp)
methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate
TL;DR: methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate (CAS 725219-03-4) is a chemical compound with molecular formula C15H21N3O3S and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(3-cycloheptyl-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene)acetate
Also Known As: methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate, (E)-methyl 2-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)acetate, methyl (2E)-2-(3-cycloheptyl-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene)acetate, methyl 2-(3-cycloheptyl-6-oxo-2H,4H-1,3-thiazolidino[3,2-e]1,3,5-triazin-7-yli dene)acetate, Methyl 2-(3-cycloheptyl-9-oxo-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-8-ylidene)acetate
| Molecular Formula | C15H21N3O3S |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 0.4363 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.13037 |
| Heavy Atoms | 22 |
| Complexity | 713.37164 |
Chemical Identifiers
| CAS Number | 725219-03-4 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N2CN(CN=C2S1)C3CCCCCC3 |
Product Overview
methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate (CAS 725219-03-4), with molecular formula C15H21N3O3S and molecular weight 323.13 g/mol. IUPAC: methyl (2E)-2-(3-cycloheptyl-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene)acetate.
Chemical Property Profile of methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate
Property Insights of methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate
The XLogP value of 0.4363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-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 6 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 (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate is 725219-03-4.
What is the molecular formula of methyl (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate is C15H21N3O3S.
What is the molecular weight of methyl (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene)ethanoate is 323.13 g/mol.
Where can I buy methyl (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-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 (2E)-(3-cycloheptyl-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.