2-Acetyl-3-phenyl-acrylic acid, t-butyl ester
TL;DR: 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester (CAS 125105-20-6) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2Z)-2-benzylidene-3-oxobutanoate
Also Known As: tert-butyl (2Z)-2-benzylidene-3-oxobutanoate, 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester, J1.685.375E, tert-Butyl (2Z)-2-acetyl-3-phenyl-2-propenoate #, (Z)-2-Acetyl-3-phenylpropenoic acid tert-butyl ester
Technical Specifications
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.1256 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.1256 Da |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1)/C(=O)OC(C)(C)C |
| InChIKey | KLJBERRWMFDCSK-RAXLEYEMSA-N |
Chemical Property Profile of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester
Property Insights of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester 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
What is the CAS number of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester?
The CAS number of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester is 125105-20-6.
What is the molecular formula of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester?
The molecular formula of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester is C15H18O3.
What is the molecular weight of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester?
The molecular weight of 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester is 246.1256 g/mol.
Where can I buy 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester?
You can request a quote for 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Acetyl-3-phenyl-acrylic acid, t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.