Butyl cinnamoylpyruvate
TL;DR: Butyl cinnamoylpyruvate (CAS 7528-05-4) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (E)-2,4-dioxo-6-phenylhex-5-enoate
Also Known As: BUTYL CINNAMOYLPYRUVATE, BK 5, butyl 2,4-dioxo-6-phenylhex-5-enoate, 5-Hexenoic acid, 2,4-dioxo-6-phenyl-, butyl ester, butyl (E)-2,4-dioxo-6-phenylhex-5-enoate
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.5714 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 488.45816 |
Chemical Identifiers
| CAS Number | 7528-05-4 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)CC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
Butyl cinnamoylpyruvate (CAS 7528-05-4), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: butyl (E)-2,4-dioxo-6-phenylhex-5-enoate.
Chemical Property Profile of Butyl cinnamoylpyruvate
Property Insights of Butyl cinnamoylpyruvate
The XLogP value of 2.5714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl cinnamoylpyruvate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl cinnamoylpyruvate. Following Lipinski's Rule of Five, Butyl cinnamoylpyruvate 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 Butyl cinnamoylpyruvate?
The CAS number of Butyl cinnamoylpyruvate is 7528-05-4.
What is the molecular formula of Butyl cinnamoylpyruvate?
The molecular formula of Butyl cinnamoylpyruvate is C16H18O4.
What is the molecular weight of Butyl cinnamoylpyruvate?
The molecular weight of Butyl cinnamoylpyruvate is 274.12 g/mol.
Where can I buy Butyl cinnamoylpyruvate?
You can request a quote for Butyl cinnamoylpyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl cinnamoylpyruvate?
Yes, KEHONG BIO provides custom synthesis services for Butyl cinnamoylpyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.