Diethyl (1-methylpropyl)malonate
TL;DR: Diethyl (1-methylpropyl)malonate (CAS 83-27-2) 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-butan-2-ylpropanedioate
Also Known As: Diethyl sec-butylmalonate, Diethyl 2-(sec-butyl)malonate, sec-Butylmalonic acid diethyl ester, diethyl 2-butan-2-ylpropanedioate, Diethyl s-butylmalonate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.8 |
| 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 | 195.0 |
Chemical Identifiers
| CAS Number | 83-27-2 |
|---|---|
| SMILES | CCC(C)C(C(=O)OCC)C(=O)OCC |
| InChIKey | MIIZSUOEOUHAIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (1-methylpropyl)malonate (CAS 83-27-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: diethyl 2-butan-2-ylpropanedioate.
Chemical Property Profile of Diethyl (1-methylpropyl)malonate
Property Insights of Diethyl (1-methylpropyl)malonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-methylpropyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (1-methylpropyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (1-methylpropyl)malonate 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 (1-methylpropyl)malonate?
The CAS number of Diethyl (1-methylpropyl)malonate is 83-27-2.
What is the molecular formula of Diethyl (1-methylpropyl)malonate?
The molecular formula of Diethyl (1-methylpropyl)malonate is C11H20O4.
What is the molecular weight of Diethyl (1-methylpropyl)malonate?
The molecular weight of Diethyl (1-methylpropyl)malonate is 216.14 g/mol.
Where can I buy Diethyl (1-methylpropyl)malonate?
You can request a quote for Diethyl (1-methylpropyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (1-methylpropyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-methylpropyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.