Diethyl 2,2-dihexylmalonate
TL;DR: Diethyl 2,2-dihexylmalonate (CAS 54662-34-9) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-dihexylpropanedioate
Also Known As: Diethyl 2,2-dihexylmalonate, Diethyl dihexylpropanedioate, diethyl 2,2-dihexylpropanedioate, Diethyl 2,2-dihexylmalonate #, Dihexyl-malonsaeure-diaethylester
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 54662-34-9 |
|---|---|
| SMILES | CCCCCCC(CCCCCC)(C(=O)OCC)C(=O)OCC |
| InChIKey | PWSLBMVNVSADMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2-dihexylmalonate (CAS 54662-34-9), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: diethyl 2,2-dihexylpropanedioate.
Chemical Property Profile of Diethyl 2,2-dihexylmalonate
Property Insights of Diethyl 2,2-dihexylmalonate
The XLogP value of 6.8 indicates that Diethyl 2,2-dihexylmalonate 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 2,2-dihexylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,2-dihexylmalonate 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 2,2-dihexylmalonate?
The CAS number of Diethyl 2,2-dihexylmalonate is 54662-34-9.
What is the molecular formula of Diethyl 2,2-dihexylmalonate?
The molecular formula of Diethyl 2,2-dihexylmalonate is C19H36O4.
What is the molecular weight of Diethyl 2,2-dihexylmalonate?
The molecular weight of Diethyl 2,2-dihexylmalonate is 328.26 g/mol.
Where can I buy Diethyl 2,2-dihexylmalonate?
You can request a quote for Diethyl 2,2-dihexylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2-dihexylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-dihexylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.