Methyl 3,5-dioxopentanoate
TL;DR: Methyl 3,5-dioxopentanoate (CAS 36568-10-2) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dioxopentanoate
Also Known As: Methyl 3,5-dioxopentanoate, Methyl-3,5-dioxopentanoat, 3,5-Dioxovalericacidmethylester, 3,5-Dioxovaleric acid methyl ester, Pentanoic acid, 3,5-dioxo-, methyl ester
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 36568-10-2 |
|---|---|
| SMILES | COC(=O)CC(=O)CC=O |
| InChIKey | NZOZKLSVSHBECX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,5-dioxopentanoate (CAS 36568-10-2), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: methyl 3,5-dioxopentanoate.
Chemical Property Profile of Methyl 3,5-dioxopentanoate
Property Insights of Methyl 3,5-dioxopentanoate
The XLogP value of -0.4 indicates that Methyl 3,5-dioxopentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-dioxopentanoate. Following Lipinski's Rule of Five, Methyl 3,5-dioxopentanoate has 0 hydrogen bond donor(s) and 4 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 3,5-dioxopentanoate?
The CAS number of Methyl 3,5-dioxopentanoate is 36568-10-2.
What is the molecular formula of Methyl 3,5-dioxopentanoate?
The molecular formula of Methyl 3,5-dioxopentanoate is C6H8O4.
What is the molecular weight of Methyl 3,5-dioxopentanoate?
The molecular weight of Methyl 3,5-dioxopentanoate is 144.04 g/mol.
Where can I buy Methyl 3,5-dioxopentanoate?
You can request a quote for Methyl 3,5-dioxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-dioxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dioxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.