Diethyl isobutylmalonate
TL;DR: Diethyl isobutylmalonate (CAS 10203-58-4) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-methylpropyl)propanedioate
Also Known As: DIETHYL ISOBUTYLMALONATE, Diethyl 2-isobutylmalonate, Isobutylmalonic acid diethyl ester, diethylisobutylmalonate, diethyl i-butylmalonate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 10203-58-4 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C)C(=O)OCC |
| InChIKey | OFRFGNSZCYDFOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl isobutylmalonate (CAS 10203-58-4), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: diethyl 2-(2-methylpropyl)propanedioate.
Chemical Property Profile of Diethyl isobutylmalonate
Property Insights of Diethyl isobutylmalonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isobutylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl isobutylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl isobutylmalonate 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 isobutylmalonate?
The CAS number of Diethyl isobutylmalonate is 10203-58-4.
What is the molecular formula of Diethyl isobutylmalonate?
The molecular formula of Diethyl isobutylmalonate is C11H20O4.
What is the molecular weight of Diethyl isobutylmalonate?
The molecular weight of Diethyl isobutylmalonate is 216.14 g/mol.
Where can I buy Diethyl isobutylmalonate?
You can request a quote for Diethyl isobutylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isobutylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isobutylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.