![(6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one structure](/static/products/896/896594-44-8.png)
(6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
TL;DR: (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one (CAS 896594-44-8) is a chemical compound with molecular formula C17H11N3O4 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-7-imino-2-methyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Also Known As: (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one, (6E)-7-imino-2-methyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2]oxazolo[2,3-a]pyrimidin-5-one, (E)-7-imino-2-methyl-6-((4-oxo-4H-chromen-3-yl)methylene)-6,7-dihydro-5H-isoxazolo[2,3-a]pyrimidin-5-one, 7-Imino-2-methyl-6-[1-(4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-6,7-dihydro-isoxazolo[2,3-a]pyrimidin -5-one
| Molecular Formula | C17H11N3O4 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 2.24337 |
| Topological Polar Surface Area | 95.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.07495 |
| Heavy Atoms | 24 |
| Complexity | 1058.9353 |
Chemical Identifiers
| CAS Number | 896594-44-8 |
|---|---|
| SMILES | CC1=CC2=NC(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/C(=N)N2O1 |
Product Overview
(6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one (CAS 896594-44-8), with molecular formula C17H11N3O4 and molecular weight 321.07 g/mol. IUPAC: (6E)-7-imino-2-methyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2]oxazolo[2,3-a]pyrimidin-5-one.
Chemical Property Profile of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Property Insights of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
The XLogP value of 2.24337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one. The TPSA of 95.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one. Following Lipinski's Rule of Five, (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one has 1 hydrogen bond donor(s) and 5 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 (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
The CAS number of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one is 896594-44-8.
What is the molecular formula of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
The molecular formula of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one is C17H11N3O4.
What is the molecular weight of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
The molecular weight of (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one is 321.07 g/mol.
Where can I buy (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
You can request a quote for (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.