Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate
TL;DR: Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate (CAS 64244-83-3) is a chemical compound with molecular formula C25H45NO5 and molecular weight 439.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-[1-(3-hydroxy-3-methylnonyl)-4,4-dimethyl-3,5-dioxopyrrolidin-2-yl]heptanoate
Also Known As: Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate, 2-Pyrrolidineheptanoic acid, 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-, ethyl ester, 4,4-Dimethyl-2-(6-ethoxycarbonyl-n-hexyl)-1-(3-hydroxy-3-methyl-n-nonyl)pyrrolidin-3,5-dione, ethyl 7-[1-(3-hydroxy-3-methylnonyl)-4,4-dimethyl-3,5-dioxopyrrolidin-2-yl]heptanoate, RefChem:266750
| Molecular Formula | C25H45NO5 |
|---|---|
| Molecular Weight | 439.33 g/mol |
| LogP | 4.8077 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 439.32977 |
| Heavy Atoms | 31 |
| Complexity | 584.4614 |
Chemical Identifiers
| CAS Number | 64244-83-3 |
|---|---|
| SMILES | CCCCCCC(C)(CCN1C(C(=O)C(C1=O)(C)C)CCCCCCC(=O)OCC)O |
Product Overview
Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate (CAS 64244-83-3), with molecular formula C25H45NO5 and molecular weight 439.33 g/mol. IUPAC: ethyl 7-[1-(3-hydroxy-3-methylnonyl)-4,4-dimethyl-3,5-dioxopyrrolidin-2-yl]heptanoate.
Chemical Property Profile of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate
Property Insights of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate
The XLogP value of 4.8077 indicates that Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate. Following Lipinski's Rule of Five, Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate has 1 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 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate?
The CAS number of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate is 64244-83-3.
What is the molecular formula of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate?
The molecular formula of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate is C25H45NO5.
What is the molecular weight of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate?
The molecular weight of Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate is 439.33 g/mol.
Where can I buy Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate?
You can request a quote for Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-dimethyl-3,5-dioxo-1-(3-hydroxy-3-methylnonyl)-2-pyrrolidineheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.