![ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate structure](/static/products/3383/338399-97-6.webp)
ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate
TL;DR: ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate (CAS 338399-97-6) is a chemical compound with molecular formula C13H14N4O5 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-[(5-cyano-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl5-[(5-cyano-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
| Molecular Formula | C13H14N4O5 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | -0.87332 |
| Topological Polar Surface Area | 115.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0964 |
| Heavy Atoms | 22 |
| Complexity | 783.0909 |
Chemical Identifiers
| CAS Number | 338399-97-6 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)CN2C=C(C(=O)N(C2=O)C)C#N |
Product Overview
ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate (CAS 338399-97-6), with molecular formula C13H14N4O5 and molecular weight 306.10 g/mol. IUPAC: ethyl 5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate
Property Insights of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate
The XLogP value of -0.87332 indicates that ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate 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 ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
The CAS number of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate is 338399-97-6.
What is the molecular formula of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
The molecular formula of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate is C13H14N4O5.
What is the molecular weight of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
The molecular weight of ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate is 306.10 g/mol.
Where can I buy ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
You can request a quote for ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.