Methyl 4,7-dioxooctanoate
TL;DR: Methyl 4,7-dioxooctanoate (CAS 61426-50-4) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,7-dioxooctanoate
Also Known As: Methyl 4,7-dioxooctanoate, Methyl 4,7-dioxooctanoate #, 4,7-Dioxooctanoic acid methyl ester, 4,7-dioxo-octanoic acid methyl ester, 4,7-Dioxooctanoic acid, methyl ester
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 61426-50-4 |
|---|---|
| SMILES | CC(=O)CCC(=O)CCC(=O)OC |
| InChIKey | VGDSAPHYFMWWPS-UHFFFAOYSA-N |
Product Overview
Methyl 4,7-dioxooctanoate (CAS 61426-50-4), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: methyl 4,7-dioxooctanoate.
Chemical Property Profile of Methyl 4,7-dioxooctanoate
Property Insights of Methyl 4,7-dioxooctanoate
The XLogP value of -0.5 indicates that Methyl 4,7-dioxooctanoate 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 4,7-dioxooctanoate. Following Lipinski's Rule of Five, Methyl 4,7-dioxooctanoate 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 4,7-dioxooctanoate?
The CAS number of Methyl 4,7-dioxooctanoate is 61426-50-4.
What is the molecular formula of Methyl 4,7-dioxooctanoate?
The molecular formula of Methyl 4,7-dioxooctanoate is C9H14O4.
What is the molecular weight of Methyl 4,7-dioxooctanoate?
The molecular weight of Methyl 4,7-dioxooctanoate is 186.09 g/mol.
Where can I buy Methyl 4,7-dioxooctanoate?
You can request a quote for Methyl 4,7-dioxooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,7-dioxooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,7-dioxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.