Methyl 4,6-dioxoheptanoate
TL;DR: Methyl 4,6-dioxoheptanoate (CAS 80480-42-8) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,6-dioxoheptanoate
Also Known As: Methyl 4,6-dioxoheptanoate, Meester-4,6-Dioxoheptanoicacid, Meester-4,6-dioxoheptanoic acid, Methyl4,6-dioxoheptanoate, Succinylacetone methyl ester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 80480-42-8 |
|---|---|
| SMILES | CC(=O)CC(=O)CCC(=O)OC |
| InChIKey | RNKNGJNPKXTDJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4,6-dioxoheptanoate (CAS 80480-42-8), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: methyl 4,6-dioxoheptanoate.
Chemical Property Profile of Methyl 4,6-dioxoheptanoate
Property Insights of Methyl 4,6-dioxoheptanoate
The XLogP value of -0.3 indicates that Methyl 4,6-dioxoheptanoate 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 4,6-dioxoheptanoate. Following Lipinski's Rule of Five, Methyl 4,6-dioxoheptanoate 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 4,6-dioxoheptanoate?
The CAS number of Methyl 4,6-dioxoheptanoate is 80480-42-8.
What is the molecular formula of Methyl 4,6-dioxoheptanoate?
The molecular formula of Methyl 4,6-dioxoheptanoate is C8H12O4.
What is the molecular weight of Methyl 4,6-dioxoheptanoate?
The molecular weight of Methyl 4,6-dioxoheptanoate is 172.07 g/mol.
Where can I buy Methyl 4,6-dioxoheptanoate?
You can request a quote for Methyl 4,6-dioxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,6-dioxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,6-dioxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.