2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate
TL;DR: 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate (CAS 606956-55-2) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate
Also Known As: 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate, 2,6-dimethyl-4-[(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate, [2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate, 2,6-Dimethyl-4-((Z)-(6-methyl-3,7-dioxo-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazin-2(3H)-ylidene)methyl)phenyl acetate, 2,6-DIMETHYL-4-{[(2Z)-6-METHYL-3,7-DIOXO-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2-YLIDENE]METHYL}PHENYL ACETATE
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 0.90946 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 1154.0419 |
Chemical Identifiers
| CAS Number | 606956-55-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C)C)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C)S2 |
Product Overview
2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate (CAS 606956-55-2), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: [2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate
Property Insights of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate
The XLogP value of 0.90946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dimethyl-4-[(Z)-(6-methyl-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, 2,6-dimethyl-4-[(Z)-(6-methyl-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 7 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 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate?
The CAS number of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate is 606956-55-2.
What is the molecular formula of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate?
The molecular formula of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate is C17H15N3O4S.
What is the molecular weight of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate?
The molecular weight of 2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate is 357.08 g/mol.
Where can I buy 2,6-dimethyl-4-[(Z)-(6-methyl-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 2,6-dimethyl-4-[(Z)-(6-methyl-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 2,6-dimethyl-4-[(Z)-(6-methyl-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 2,6-dimethyl-4-[(Z)-(6-methyl-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.