Diethyl nonylpropanedioate
TL;DR: Diethyl nonylpropanedioate (CAS 52494-33-4) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-nonylpropanedioate
Also Known As: diethyl nonylpropanedioate, diethyl 2-nonylpropanedioate, diethyl 2-nonylmalonate, DIETHYL NONYLMALONATE, DIETHYLNONYLMALONATE
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 52494-33-4 |
|---|---|
| SMILES | CCCCCCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | JRPGECJKHZKZMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl nonylpropanedioate (CAS 52494-33-4), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: diethyl 2-nonylpropanedioate.
Chemical Property Profile of Diethyl nonylpropanedioate
Property Insights of Diethyl nonylpropanedioate
The XLogP value of 5.6 indicates that Diethyl nonylpropanedioate 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 nonylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl nonylpropanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl nonylpropanedioate?
The CAS number of Diethyl nonylpropanedioate is 52494-33-4.
What is the molecular formula of Diethyl nonylpropanedioate?
The molecular formula of Diethyl nonylpropanedioate is C16H30O4.
What is the molecular weight of Diethyl nonylpropanedioate?
The molecular weight of Diethyl nonylpropanedioate is 286.21 g/mol.
Where can I buy Diethyl nonylpropanedioate?
You can request a quote for Diethyl nonylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl nonylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl nonylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.