Benzyl 5-oxopentanoate
TL;DR: Benzyl 5-oxopentanoate (CAS 97547-93-8) 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.
benzyl 5-oxopentanoate
Also Known As: Benzyl 5-oxopentanoate, 5-Benzoylpentanoic acid, 4-(benzyloxycarbonyl)butyraldehyde, A1-02022
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 97547-93-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCC=O |
| InChIKey | LOGJGIGNTMIGTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 5-oxopentanoate (CAS 97547-93-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: benzyl 5-oxopentanoate.
Chemical Property Profile of Benzyl 5-oxopentanoate
Property Insights of Benzyl 5-oxopentanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Benzyl 5-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 5-oxopentanoate 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 Benzyl 5-oxopentanoate?
The CAS number of Benzyl 5-oxopentanoate is 97547-93-8.
What is the molecular formula of Benzyl 5-oxopentanoate?
The molecular formula of Benzyl 5-oxopentanoate is C12H14O3.
What is the molecular weight of Benzyl 5-oxopentanoate?
The molecular weight of Benzyl 5-oxopentanoate is 206.09 g/mol.
Where can I buy Benzyl 5-oxopentanoate?
You can request a quote for Benzyl 5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.