Diethyl-1-ethylpropyl malonate
TL;DR: Diethyl-1-ethylpropyl malonate (CAS 71691-56-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pentan-3-ylpropanedioate
Also Known As: Diethyl-1-ethylpropyl malonate, diethyl 2-pentan-3-ylpropanedioate, DIETHYL (1-ETHYLPROPYL)MALONATE, (1-Ethylpropyl)malonic acid diethyl ester, 1,3-diethyl 2-(pentan-3-yl)propanedioate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 71691-56-0 |
|---|---|
| SMILES | CCC(CC)C(C(=O)OCC)C(=O)OCC |
| InChIKey | YXTZLGAIZUVGGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl-1-ethylpropyl malonate (CAS 71691-56-0), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl 2-pentan-3-ylpropanedioate.
Chemical Property Profile of Diethyl-1-ethylpropyl malonate
Property Insights of Diethyl-1-ethylpropyl malonate
The XLogP value of 3.3 indicates that Diethyl-1-ethylpropyl malonate 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-1-ethylpropyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-1-ethylpropyl 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-ethylpropyl malonate?
The CAS number of Diethyl-1-ethylpropyl malonate is 71691-56-0.
What is the molecular formula of Diethyl-1-ethylpropyl malonate?
The molecular formula of Diethyl-1-ethylpropyl malonate is C12H22O4.
What is the molecular weight of Diethyl-1-ethylpropyl malonate?
The molecular weight of Diethyl-1-ethylpropyl malonate is 230.15 g/mol.
Where can I buy Diethyl-1-ethylpropyl malonate?
You can request a quote for Diethyl-1-ethylpropyl 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-ethylpropyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-1-ethylpropyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.