Methyl 3-oxo-5-phenylpentanoate
TL;DR: Methyl 3-oxo-5-phenylpentanoate (CAS 30414-58-5) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-5-phenylpentanoate
Also Known As: Methyl 3-oxo-5-phenylpentanoate, UPCMLD00WJAB47, methyl benzylacetoacetate, 3-Oxo-5-phenylpentanoic acid methyl ester, methyl 3-oxo-5-phenyl-pentanoate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 30414-58-5 |
|---|---|
| SMILES | COC(=O)CC(=O)CCC1=CC=CC=C1 |
| InChIKey | SQVSJIIOQBUFOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-oxo-5-phenylpentanoate (CAS 30414-58-5), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: methyl 3-oxo-5-phenylpentanoate.
Chemical Property Profile of Methyl 3-oxo-5-phenylpentanoate
Property Insights of Methyl 3-oxo-5-phenylpentanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-oxo-5-phenylpentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-oxo-5-phenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 3-oxo-5-phenylpentanoate?
The CAS number of Methyl 3-oxo-5-phenylpentanoate is 30414-58-5.
What is the molecular formula of Methyl 3-oxo-5-phenylpentanoate?
The molecular formula of Methyl 3-oxo-5-phenylpentanoate is C12H14O3.
What is the molecular weight of Methyl 3-oxo-5-phenylpentanoate?
The molecular weight of Methyl 3-oxo-5-phenylpentanoate is 206.09 g/mol.
Where can I buy Methyl 3-oxo-5-phenylpentanoate?
You can request a quote for Methyl 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 Methyl 3-oxo-5-phenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxo-5-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.