![3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione structure](/static/products/1685/16858-07-4.webp)
3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione
TL;DR: 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione (CAS 16858-07-4) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentane-2,4-dione
Also Known As: 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione, 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentane-2,4-dione, 2,4-Pentanedione, 3-[(3,5-dimethyl-4-isoxazolyl)methyl]-, 3-(3,5-dimethyl-isoxazol-4-ylmethyl)-pentane-2,4-dione, 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione #
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 16858-07-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CC(C(=O)C)C(=O)C |
| InChIKey | LLGGXXBJWYMZDC-UHFFFAOYSA-N |
Product Overview
3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione (CAS 16858-07-4), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentane-2,4-dione.
Chemical Property Profile of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione
Property Insights of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione. Following Lipinski's Rule of Five, 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione has 0 hydrogen bond donor(s) and 4 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 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione?
The CAS number of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione is 16858-07-4.
What is the molecular formula of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione?
The molecular formula of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione is C11H15NO3.
What is the molecular weight of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione?
The molecular weight of 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione is 209.11 g/mol.
Where can I buy 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione?
You can request a quote for 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.