5-Aminoisoxazol-3-ol
TL;DR: 5-Aminoisoxazol-3-ol (CAS 946714-63-2) is a chemical compound with molecular formula C3H4N2O2 and molecular weight 100.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1,2-oxazol-3-one
Also Known As: 5-Aminoisoxazol-3(2H)-one, 5-aminoisoxazol-3-ol, 5-amino-3-isoxazolol, 5-AMINO-ISOXAZOL-3-ONE, 5-amino-1,2-oxazol-3-one
| Molecular Formula | C3H4N2O2 |
|---|---|
| Molecular Weight | 100.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.027275 |
| Heavy Atoms | 7 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 946714-63-2 |
|---|---|
| SMILES | C1=C(ONC1=O)N |
| InChIKey | SBAQXOKGHJGIGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Aminoisoxazol-3-ol (CAS 946714-63-2), with molecular formula C3H4N2O2 and molecular weight 100.03 g/mol. IUPAC: 5-amino-1,2-oxazol-3-one.
Chemical Property Profile of 5-Aminoisoxazol-3-ol
Property Insights of 5-Aminoisoxazol-3-ol
The XLogP value of -0.8 indicates that 5-Aminoisoxazol-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aminoisoxazol-3-ol. Following Lipinski's Rule of Five, 5-Aminoisoxazol-3-ol has 2 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 5-Aminoisoxazol-3-ol?
The CAS number of 5-Aminoisoxazol-3-ol is 946714-63-2.
What is the molecular formula of 5-Aminoisoxazol-3-ol?
The molecular formula of 5-Aminoisoxazol-3-ol is C3H4N2O2.
What is the molecular weight of 5-Aminoisoxazol-3-ol?
The molecular weight of 5-Aminoisoxazol-3-ol is 100.03 g/mol.
Where can I buy 5-Aminoisoxazol-3-ol?
You can request a quote for 5-Aminoisoxazol-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Aminoisoxazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-Aminoisoxazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.