5(2H)-Isoxazolone, 3,4-dimethyl-
TL;DR: 5(2H)-Isoxazolone, 3,4-dimethyl- (CAS 29279-99-0) 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.
3,4-dimethyl-2H-1,2-oxazol-5-one
Also Known As: 3,4-Dimethylisoxazol-5-ol, 5(2H)-Isoxazolone, 3,4-dimethyl-, 3,4-Dimethylisoxazol-5(2H)-one, 3,4-Dimethyl-5-isoxazolol, 3,4-dimethyl-2H-1,2-oxazol-5-one
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 29279-99-0 |
|---|---|
| SMILES | CC1=C(NOC1=O)C |
| InChIKey | WKQGJZHWFBLONX-UHFFFAOYSA-N |
Product Overview
5(2H)-Isoxazolone, 3,4-dimethyl- (CAS 29279-99-0), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 3,4-dimethyl-2H-1,2-oxazol-5-one.
Chemical Property Profile of 5(2H)-Isoxazolone, 3,4-dimethyl-
Property Insights of 5(2H)-Isoxazolone, 3,4-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(2H)-Isoxazolone, 3,4-dimethyl-. With a topological polar surface area (TPSA) of 38.3 Ų, 5(2H)-Isoxazolone, 3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(2H)-Isoxazolone, 3,4-dimethyl- has 1 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(2H)-Isoxazolone, 3,4-dimethyl-?
The CAS number of 5(2H)-Isoxazolone, 3,4-dimethyl- is 29279-99-0.
What is the molecular formula of 5(2H)-Isoxazolone, 3,4-dimethyl-?
The molecular formula of 5(2H)-Isoxazolone, 3,4-dimethyl- is C5H7NO2.
What is the molecular weight of 5(2H)-Isoxazolone, 3,4-dimethyl-?
The molecular weight of 5(2H)-Isoxazolone, 3,4-dimethyl- is 113.05 g/mol.
Where can I buy 5(2H)-Isoxazolone, 3,4-dimethyl-?
You can request a quote for 5(2H)-Isoxazolone, 3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(2H)-Isoxazolone, 3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5(2H)-Isoxazolone, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.