Diethyl Decylmalonate
TL;DR: Diethyl Decylmalonate (CAS 5116-23-4) is a chemical compound with molecular formula C17H32O4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-decylpropanedioate
Also Known As: Diethyl Decylmalonate, diethyl n-decylmalonate, diethyl 2-decylpropanedioate, diethyl decylpropanedioate, 5,7-Dimethoxyindan-1-one
| Molecular Formula | C17H32O4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 300.23007 |
| Heavy Atoms | 21 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 5116-23-4 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | PAMYCOKKVLYDHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl Decylmalonate (CAS 5116-23-4), with molecular formula C17H32O4 and molecular weight 300.23 g/mol. IUPAC: diethyl 2-decylpropanedioate.
Chemical Property Profile of Diethyl Decylmalonate
Property Insights of Diethyl Decylmalonate
The XLogP value of 6.1 indicates that Diethyl Decylmalonate 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 Decylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl Decylmalonate 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 Decylmalonate?
The CAS number of Diethyl Decylmalonate is 5116-23-4.
What is the molecular formula of Diethyl Decylmalonate?
The molecular formula of Diethyl Decylmalonate is C17H32O4.
What is the molecular weight of Diethyl Decylmalonate?
The molecular weight of Diethyl Decylmalonate is 300.23 g/mol.
Where can I buy Diethyl Decylmalonate?
You can request a quote for Diethyl Decylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl Decylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl Decylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.