Methyl 3,5-dioxohexanoate
TL;DR: Methyl 3,5-dioxohexanoate (CAS 29736-80-9) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dioxohexanoate
Also Known As: Methyl 3,5-dioxohexanoate, Methyl3,5-dioxohexanoate, Methyl 35-dioxohexanoate, methyl-3,5-dioxohexanoat, Hexanoic acid, 3,5-dioxo-, methyl ester
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 29736-80-9 |
|---|---|
| SMILES | CC(=O)CC(=O)CC(=O)OC |
| InChIKey | JUKCTOHWTHYRPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,5-dioxohexanoate (CAS 29736-80-9), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: methyl 3,5-dioxohexanoate.
Chemical Property Profile of Methyl 3,5-dioxohexanoate
Property Insights of Methyl 3,5-dioxohexanoate
The XLogP value of -0.2 indicates that Methyl 3,5-dioxohexanoate 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-dioxohexanoate. Following Lipinski's Rule of Five, Methyl 3,5-dioxohexanoate 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-dioxohexanoate?
The CAS number of Methyl 3,5-dioxohexanoate is 29736-80-9.
What is the molecular formula of Methyl 3,5-dioxohexanoate?
The molecular formula of Methyl 3,5-dioxohexanoate is C7H10O4.
What is the molecular weight of Methyl 3,5-dioxohexanoate?
The molecular weight of Methyl 3,5-dioxohexanoate is 158.06 g/mol.
Where can I buy Methyl 3,5-dioxohexanoate?
You can request a quote for Methyl 3,5-dioxohexanoate 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-dioxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dioxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.