Diethyl dibutylmalonate
TL;DR: Diethyl dibutylmalonate (CAS 596-75-8) 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 2,2-dibutylpropanedioate
Also Known As: Diethyl dibutylmalonate, Diethyl 2,2-dibutylmalonate, Diethyldibutylmalonate, DEDNBM, diethyl 2,2-dibutylpropanedioate
| 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 | 245.0 |
Chemical Identifiers
| CAS Number | 596-75-8 |
|---|---|
| SMILES | CCCCC(CCCC)(C(=O)OCC)C(=O)OCC |
| InChIKey | WHKKUUPZLWUOIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl dibutylmalonate (CAS 596-75-8), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: diethyl 2,2-dibutylpropanedioate.
Chemical Property Profile of Diethyl dibutylmalonate
Property Insights of Diethyl dibutylmalonate
The XLogP value of 4.7 indicates that Diethyl dibutylmalonate 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 dibutylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl dibutylmalonate 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 dibutylmalonate?
The CAS number of Diethyl dibutylmalonate is 596-75-8.
What is the molecular formula of Diethyl dibutylmalonate?
The molecular formula of Diethyl dibutylmalonate is C15H28O4.
What is the molecular weight of Diethyl dibutylmalonate?
The molecular weight of Diethyl dibutylmalonate is 272.20 g/mol.
Where can I buy Diethyl dibutylmalonate?
You can request a quote for Diethyl dibutylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl dibutylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl dibutylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.