3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde
TL;DR: 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde (CAS 5777-21-9) is a chemical compound with molecular formula C4H3NO3 and molecular weight 113.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-1,2-oxazole-5-carbaldehyde
Also Known As: 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde, 3-oxo-1,2-oxazole-5-carbaldehyde, 3-Hydroxyisoxazole-5-carbaldehyde, 3-Hydroxy-5-isoxazolecarboxaldehyde, 3-Hydroxy-1,2-oxazole-5-carbaldehyde
| Molecular Formula | C4H3NO3 |
|---|---|
| Molecular Weight | 113.01 g/mol |
| LogP | -0.2196 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.01129 |
| Heavy Atoms | 8 |
| Complexity | 233.4315 |
Chemical Identifiers
| CAS Number | 5777-21-9 |
|---|---|
| SMILES | C1=C(ONC1=O)C=O |
Product Overview
3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde (CAS 5777-21-9), with molecular formula C4H3NO3 and molecular weight 113.01 g/mol. IUPAC: 3-oxo-1,2-oxazole-5-carbaldehyde.
Chemical Property Profile of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde
Property Insights of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde
The XLogP value of -0.2196 indicates that 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde. Following Lipinski's Rule of Five, 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde has 1 hydrogen bond donor(s) and 3 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 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde?
The CAS number of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde is 5777-21-9.
What is the molecular formula of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde?
The molecular formula of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde is C4H3NO3.
What is the molecular weight of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde?
The molecular weight of 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde is 113.01 g/mol.
Where can I buy 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde?
You can request a quote for 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2,3-dihydroisoxazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.