![5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide structure](/static/products/3392/339279-29-7.webp)
5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide
TL;DR: 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide (CAS 339279-29-7) is a chemical compound with molecular formula C11H12N6O4 and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Also Known As: 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide, 4L-902, 5-[(5-cyano-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide, 5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide, 5-[(5-cyano-3-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]-4,5-dihydroisoxazole-3-carbohydrazide
| Molecular Formula | C11H12N6O4 |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | -2.44652 |
| Topological Polar Surface Area | 144.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.092 |
| Heavy Atoms | 21 |
| Complexity | 768.38885 |
Chemical Identifiers
| CAS Number | 339279-29-7 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)CC2CC(=NO2)C(=O)NN)C#N |
Product Overview
5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide (CAS 339279-29-7), with molecular formula C11H12N6O4 and molecular weight 292.09 g/mol. IUPAC: 5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide.
Chemical Property Profile of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide
Property Insights of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide
The XLogP value of -2.44652 indicates that 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.5 Ų indicates high polarity, suggesting 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide has 2 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 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide?
The CAS number of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide is 339279-29-7.
What is the molecular formula of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide?
The molecular formula of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide is C11H12N6O4.
What is the molecular weight of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide?
The molecular weight of 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide is 292.09 g/mol.
Where can I buy 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide?
You can request a quote for 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.