2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one
TL;DR: 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one (CAS 7713-65-7) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
Also Known As: 2,4-dimethyl-3-phenyl-2H-isoxazol-5-one, 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one, 2,4-Dimethyl-3-phenyl-5(2H)-isoxazolone, 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one, 2,4-Dimethyl-3-phenyl-5(2H)-isoxazolone #
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 7713-65-7 |
|---|---|
| SMILES | CC1=C(N(OC1=O)C)C2=CC=CC=C2 |
| InChIKey | OGRTWGJEVRYIIT-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one (CAS 7713-65-7), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one
Property Insights of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one 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 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one?
The CAS number of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one is 7713-65-7.
What is the molecular formula of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one?
The molecular formula of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one is C11H11NO2.
What is the molecular weight of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one?
The molecular weight of 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one is 189.08 g/mol.
Where can I buy 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one?
You can request a quote for 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-3-phenyl-isoxazol-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.