Tert-butyl 4-oxo-4-phenylbut-2-enoate
TL;DR: Tert-butyl 4-oxo-4-phenylbut-2-enoate (CAS 88098-04-8) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-oxo-4-phenylbut-2-enoate
Also Known As: tert-butyl 4-oxo-4-phenylbut-2-enoate, Tert-butyl 4-oxo-4-phenyl-but-2-enoate, (2E)-tert-butyl 4-oxo-4-pheynylbut-2-enoate, 2-Butenoic acid, 4-oxo-4-phenyl-, 1,1-dimethylethyl ester, (E)-
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.7672 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 424.53058 |
Chemical Identifiers
| CAS Number | 88098-04-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C=CC(=O)C1=CC=CC=C1 |
Product Overview
Tert-butyl 4-oxo-4-phenylbut-2-enoate (CAS 88098-04-8), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: tert-butyl 4-oxo-4-phenylbut-2-enoate.
Chemical Property Profile of Tert-butyl 4-oxo-4-phenylbut-2-enoate
Property Insights of Tert-butyl 4-oxo-4-phenylbut-2-enoate
The XLogP value of 2.7672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-oxo-4-phenylbut-2-enoate. With a topological polar surface area (TPSA) of 43.37 Ų, Tert-butyl 4-oxo-4-phenylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-oxo-4-phenylbut-2-enoate 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 Tert-butyl 4-oxo-4-phenylbut-2-enoate?
The CAS number of Tert-butyl 4-oxo-4-phenylbut-2-enoate is 88098-04-8.
What is the molecular formula of Tert-butyl 4-oxo-4-phenylbut-2-enoate?
The molecular formula of Tert-butyl 4-oxo-4-phenylbut-2-enoate is C14H16O3.
What is the molecular weight of Tert-butyl 4-oxo-4-phenylbut-2-enoate?
The molecular weight of Tert-butyl 4-oxo-4-phenylbut-2-enoate is 232.11 g/mol.
Where can I buy Tert-butyl 4-oxo-4-phenylbut-2-enoate?
You can request a quote for Tert-butyl 4-oxo-4-phenylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-oxo-4-phenylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-oxo-4-phenylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.