4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal
TL;DR: 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal (CAS 303153-00-6) is a chemical compound with molecular formula C15H20N6O4 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
Also Known As: 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal, 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide, 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide, 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole-6,4'-piperidine]-3-carbohydrazide
| Molecular Formula | C15H20N6O4 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | -0.8192 |
| Topological Polar Surface Area | 124.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1546 |
| Heavy Atoms | 25 |
| Complexity | 661.24524 |
Chemical Identifiers
| CAS Number | 303153-00-6 |
|---|---|
| SMILES | C1CN(CCC12OCC3C(CO2)ON=C3C(=O)NN)C4=NC=CC=N4 |
Product Overview
4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal (CAS 303153-00-6), with molecular formula C15H20N6O4 and molecular weight 348.15 g/mol. IUPAC: 1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide.
Chemical Property Profile of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal
Property Insights of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal
The XLogP value of -0.8192 indicates that 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal. Following Lipinski's Rule of Five, 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal has 2 hydrogen bond donor(s) and 9 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 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal?
The CAS number of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal is 303153-00-6.
What is the molecular formula of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal?
The molecular formula of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal is C15H20N6O4.
What is the molecular weight of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal?
The molecular weight of 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal is 348.15 g/mol.
Where can I buy 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal?
You can request a quote for 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(hydroxymethyl)-3-hydrazido-4,5-dihydroisoxazole-1-(2-pyrimidyl)piperid-4-one acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.