Ethyl 4,4-diethoxypentanoate
TL;DR: Ethyl 4,4-diethoxypentanoate (CAS 92557-39-6) is a chemical compound with molecular formula C11H22O4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-diethoxypentanoate
Also Known As: ethyl 4,4-diethoxypentanoate, ETHYL LEVULINATE DIETHYL ACETAL, Levulinic acid, ethyl ester, diethyl acetal, RefChem:343563
| Molecular Formula | C11H22O4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 218.15181 |
| Heavy Atoms | 15 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 92557-39-6 |
|---|---|
| SMILES | CCOC(=O)CCC(C)(OCC)OCC |
| InChIKey | JWMRPSYVFUZQCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4-diethoxypentanoate (CAS 92557-39-6), with molecular formula C11H22O4 and molecular weight 218.15 g/mol. IUPAC: ethyl 4,4-diethoxypentanoate.
Chemical Property Profile of Ethyl 4,4-diethoxypentanoate
Property Insights of Ethyl 4,4-diethoxypentanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-diethoxypentanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 4,4-diethoxypentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4-diethoxypentanoate 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 Ethyl 4,4-diethoxypentanoate?
The CAS number of Ethyl 4,4-diethoxypentanoate is 92557-39-6.
What is the molecular formula of Ethyl 4,4-diethoxypentanoate?
The molecular formula of Ethyl 4,4-diethoxypentanoate is C11H22O4.
What is the molecular weight of Ethyl 4,4-diethoxypentanoate?
The molecular weight of Ethyl 4,4-diethoxypentanoate is 218.15 g/mol.
Where can I buy Ethyl 4,4-diethoxypentanoate?
You can request a quote for Ethyl 4,4-diethoxypentanoate 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-diethoxypentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-diethoxypentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.