5-(4-Piperidinyl)-3(2H)-isoxazolone
TL;DR: 5-(4-Piperidinyl)-3(2H)-isoxazolone (CAS 132033-91-1) is a chemical compound with molecular formula C1CNCCC1C2=CC(=O)NO2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-piperidin-4-yl-1,2-oxazol-3-one
Also Known As: 4-Piol, 5-(4-Piperidyl)isoxazol-3-ol, 5-(piperidin-4-yl)isoxazol-3-ol, 5-piperidin-4-yl-1,2-oxazol-3-one, 5-Piperidin-4-yl-isoxazol-3-ol
| Molecular Formula | C1CNCCC1C2=CC(=O)NO2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 132033-91-1 |
|---|---|
| SMILES | C1CNCCC1C2=CC(=O)NO2 |
| InChIKey | YYOYGSTYWVHCJR-UHFFFAOYSA-N |
Product Overview
5-(4-Piperidinyl)-3(2H)-isoxazolone (CAS 132033-91-1), with molecular formula C1CNCCC1C2=CC(=O)NO2 and molecular weight 168.09 g/mol. IUPAC: 5-piperidin-4-yl-1,2-oxazol-3-one.
Chemical Property Profile of 5-(4-Piperidinyl)-3(2H)-isoxazolone
Property Insights of 5-(4-Piperidinyl)-3(2H)-isoxazolone
The XLogP value of -0.2 indicates that 5-(4-Piperidinyl)-3(2H)-isoxazolone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.4 Ų, 5-(4-Piperidinyl)-3(2H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Piperidinyl)-3(2H)-isoxazolone 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-(4-Piperidinyl)-3(2H)-isoxazolone?
The CAS number of 5-(4-Piperidinyl)-3(2H)-isoxazolone is 132033-91-1.
What is the molecular formula of 5-(4-Piperidinyl)-3(2H)-isoxazolone?
The molecular formula of 5-(4-Piperidinyl)-3(2H)-isoxazolone is C1CNCCC1C2=CC(=O)NO2.
What is the molecular weight of 5-(4-Piperidinyl)-3(2H)-isoxazolone?
The molecular weight of 5-(4-Piperidinyl)-3(2H)-isoxazolone is 168.09 g/mol.
Where can I buy 5-(4-Piperidinyl)-3(2H)-isoxazolone?
You can request a quote for 5-(4-Piperidinyl)-3(2H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Piperidinyl)-3(2H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Piperidinyl)-3(2H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.