2-Phenylethyl oxoacetate
TL;DR: 2-Phenylethyl oxoacetate (CAS 57130-87-7) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-oxoacetate
Also Known As: 2-Phenylethyl oxoacetate, 2-phenylethyl glyoxylate, 2-phenylethyl 2-oxoacetate, phenethyl 2-oxoacetate, Glyoxylsaeurephenethylester
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 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 | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 57130-87-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C=O |
| InChIKey | FMQUUOZOHJGBLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethyl oxoacetate (CAS 57130-87-7), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 2-phenylethyl 2-oxoacetate.
Chemical Property Profile of 2-Phenylethyl oxoacetate
Property Insights of 2-Phenylethyl oxoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl oxoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Phenylethyl oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl oxoacetate 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 2-Phenylethyl oxoacetate?
The CAS number of 2-Phenylethyl oxoacetate is 57130-87-7.
What is the molecular formula of 2-Phenylethyl oxoacetate?
The molecular formula of 2-Phenylethyl oxoacetate is C10H10O3.
What is the molecular weight of 2-Phenylethyl oxoacetate?
The molecular weight of 2-Phenylethyl oxoacetate is 178.06 g/mol.
Where can I buy 2-Phenylethyl oxoacetate?
You can request a quote for 2-Phenylethyl oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.