Diethyl ethyl(hexyl)propanedioate
TL;DR: Diethyl ethyl(hexyl)propanedioate (CAS 29926-52-1) is a chemical compound with molecular formula C15H28O4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-hexylpropanedioate
Also Known As: diethyl ethyl(hexyl)propanedioate, diethyl 2-ethyl-2-hexylpropanedioate, DIETHYLETHYLHEXYLMALONATE, DIETHYL ETHYLHEXYL MALONATE, ethyl-hexyl-malonic acid diethyl ester
| Molecular Formula | C15H28O4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 272.19876 |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 29926-52-1 |
|---|---|
| SMILES | CCCCCCC(CC)(C(=O)OCC)C(=O)OCC |
| InChIKey | NESROWJMOIQZIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethyl(hexyl)propanedioate (CAS 29926-52-1), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: diethyl 2-ethyl-2-hexylpropanedioate.
Chemical Property Profile of Diethyl ethyl(hexyl)propanedioate
Property Insights of Diethyl ethyl(hexyl)propanedioate
The XLogP value of 4.7 indicates that Diethyl ethyl(hexyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl ethyl(hexyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethyl(hexyl)propanedioate 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 Diethyl ethyl(hexyl)propanedioate?
The CAS number of Diethyl ethyl(hexyl)propanedioate is 29926-52-1.
What is the molecular formula of Diethyl ethyl(hexyl)propanedioate?
The molecular formula of Diethyl ethyl(hexyl)propanedioate is C15H28O4.
What is the molecular weight of Diethyl ethyl(hexyl)propanedioate?
The molecular weight of Diethyl ethyl(hexyl)propanedioate is 272.20 g/mol.
Where can I buy Diethyl ethyl(hexyl)propanedioate?
You can request a quote for Diethyl ethyl(hexyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethyl(hexyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethyl(hexyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.