(E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid
TL;DR: (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid (CAS 1613049-39-0) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoic acid
Also Known As: (2E)-3-(3,5-dimethylisoxazol-4-yl)acrylic acid, 3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoic Acid, (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid, 3-(3,5-dimethylisoxazol-4-yl)prop-2-enoic acid, (2E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 Da |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
| SMILES | CC1=C(C(=NO1)C)C=CC(=O)O |
| InChIKey | BDTVMGBOXLTXBK-UHFFFAOYSA-N |
Chemical Property Profile of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid
Property Insights of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid?
The CAS number of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid is 1613049-39-0.
What is the molecular formula of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid?
The molecular formula of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid is C8H9NO3.
What is the molecular weight of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid?
The molecular weight of (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid is 167.05824 g/mol.
Where can I buy (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid?
You can request a quote for (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for (E)-3-(3,5-Dimethylisoxazol-4-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.