Phenethyl pyruvate
TL;DR: Phenethyl pyruvate (CAS 20279-47-4) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-oxopropanoate
Also Known As: Phenethyl pyruvate, phenethyl 2-oxopropanoate, 2-PHENYLETHYL 2-OXOPROPANOATE, 2-Oxopropanoic acid phenethyl ester, 2-Oxopropanoic acid 2-phenylethyl ester
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 20279-47-4 |
|---|---|
| SMILES | CC(=O)C(=O)OCCC1=CC=CC=C1 |
| InChIKey | WSPONQFEXIMYFZ-UHFFFAOYSA-N |
Product Overview
Phenethyl pyruvate (CAS 20279-47-4), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 2-phenylethyl 2-oxopropanoate.
Chemical Property Profile of Phenethyl pyruvate
Property Insights of Phenethyl pyruvate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethyl pyruvate. With a topological polar surface area (TPSA) of 43.4 Ų, Phenethyl pyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl pyruvate 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 Phenethyl pyruvate?
The CAS number of Phenethyl pyruvate is 20279-47-4.
What is the molecular formula of Phenethyl pyruvate?
The molecular formula of Phenethyl pyruvate is C11H12O3.
What is the molecular weight of Phenethyl pyruvate?
The molecular weight of Phenethyl pyruvate is 192.08 g/mol.
Where can I buy Phenethyl pyruvate?
You can request a quote for Phenethyl pyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl pyruvate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl pyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.