Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate
TL;DR: Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate (CAS 5213-83-2) is a chemical compound with molecular formula C15H26O5 and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate
Also Known As: ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate, BIM-0020568.P001, AB00075436-01, ethyl 4-isobutyryl-6-methoxy-6-methyl-5-oxoheptanoate
| Molecular Formula | C15H26O5 |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | 2.1651 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 286.178 |
| Heavy Atoms | 20 |
| Complexity | 357.27536 |
Chemical Identifiers
| CAS Number | 5213-83-2 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)C(C)C)C(=O)C(C)(C)OC |
Product Overview
Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate (CAS 5213-83-2), with molecular formula C15H26O5 and molecular weight 286.18 g/mol. IUPAC: ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate.
Chemical Property Profile of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate
Property Insights of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate
The XLogP value of 2.1651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate. Following Lipinski's Rule of Five, Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate?
The CAS number of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate is 5213-83-2.
What is the molecular formula of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate?
The molecular formula of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate is C15H26O5.
What is the molecular weight of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate?
The molecular weight of Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate is 286.18 g/mol.
Where can I buy Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate?
You can request a quote for Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methoxy-6-methyl-4-(2-methylpropanoyl)-5-oxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.