2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone
TL;DR: 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone (CAS 303986-99-4) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclopropanecarbonyl)-3-phenyl-1,2-oxazol-5-one
Also Known As: 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone, 2-(cyclopropanecarbonyl)-3-phenyl-1,2-oxazol-5-one, 11M-904, 2-cyclopropanecarbonyl-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.1585 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 605.09485 |
Chemical Identifiers
| CAS Number | 303986-99-4 |
|---|---|
| SMILES | C1CC1C(=O)N2C(=CC(=O)O2)C3=CC=CC=C3 |
Product Overview
2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone (CAS 303986-99-4), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 2-(cyclopropanecarbonyl)-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone
Property Insights of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone
The XLogP value of 2.1585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone. With a topological polar surface area (TPSA) of 52.21 Ų, 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone has 0 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 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone?
The CAS number of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone is 303986-99-4.
What is the molecular formula of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone?
The molecular formula of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone is C13H11NO3.
What is the molecular weight of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone?
The molecular weight of 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone is 229.07 g/mol.
Where can I buy 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone?
You can request a quote for 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 2-(cyclopropylcarbonyl)-3-phenyl-5(2H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.