Ethyl 3-oxo-5-phenylpentanoate
TL;DR: Ethyl 3-oxo-5-phenylpentanoate (CAS 17071-29-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-5-phenylpentanoate
Also Known As: Ethyl 3-oxo-5-phenylpentanoate, ethyl-benzylacetoacetate, 3-OXO-5-PHENYL-PENTANOIC ACID ETHYL ESTER, UPCMLD00WJAB62, ethyl 2-benzyl-acetoacetate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 17071-29-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CCC1=CC=CC=C1 |
| InChIKey | PRDJGEFZGPKCSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-oxo-5-phenylpentanoate (CAS 17071-29-3), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 3-oxo-5-phenylpentanoate.
Chemical Property Profile of Ethyl 3-oxo-5-phenylpentanoate
Property Insights of Ethyl 3-oxo-5-phenylpentanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-5-phenylpentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-oxo-5-phenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-5-phenylpentanoate 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 Ethyl 3-oxo-5-phenylpentanoate?
The CAS number of Ethyl 3-oxo-5-phenylpentanoate is 17071-29-3.
What is the molecular formula of Ethyl 3-oxo-5-phenylpentanoate?
The molecular formula of Ethyl 3-oxo-5-phenylpentanoate is C13H16O3.
What is the molecular weight of Ethyl 3-oxo-5-phenylpentanoate?
The molecular weight of Ethyl 3-oxo-5-phenylpentanoate is 220.11 g/mol.
Where can I buy Ethyl 3-oxo-5-phenylpentanoate?
You can request a quote for Ethyl 3-oxo-5-phenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-5-phenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-5-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.