2,3-Dimethyl-isoxazol-5(2H)-one
TL;DR: 2,3-Dimethyl-isoxazol-5(2H)-one (CAS 7713-67-9) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-1,2-oxazol-5-one
Also Known As: 2,3-Dimethylisoxazolin-5-one, 2,3-dimethyl-1,2-oxazol-5-one, 2,3-Dimethyl-5(2H)-isoxazolone, 2,3-Dimethyl-isoxazol-5(2H)-one, 2,3-Dimethyl-5(2H)-isoxazolone #
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 7713-67-9 |
|---|---|
| SMILES | CC1=CC(=O)ON1C |
| InChIKey | JFDILYXRXNVVFA-UHFFFAOYSA-N |
Product Overview
2,3-Dimethyl-isoxazol-5(2H)-one (CAS 7713-67-9), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 2,3-dimethyl-1,2-oxazol-5-one.
Chemical Property Profile of 2,3-Dimethyl-isoxazol-5(2H)-one
Property Insights of 2,3-Dimethyl-isoxazol-5(2H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-isoxazol-5(2H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, 2,3-Dimethyl-isoxazol-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-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 2,3-Dimethyl-isoxazol-5(2H)-one?
The CAS number of 2,3-Dimethyl-isoxazol-5(2H)-one is 7713-67-9.
What is the molecular formula of 2,3-Dimethyl-isoxazol-5(2H)-one?
The molecular formula of 2,3-Dimethyl-isoxazol-5(2H)-one is C5H7NO2.
What is the molecular weight of 2,3-Dimethyl-isoxazol-5(2H)-one?
The molecular weight of 2,3-Dimethyl-isoxazol-5(2H)-one is 113.05 g/mol.
Where can I buy 2,3-Dimethyl-isoxazol-5(2H)-one?
You can request a quote for 2,3-Dimethyl-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 2,3-Dimethyl-isoxazol-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-isoxazol-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.