Diethyl isopropylmethylmalonate
TL;DR: Diethyl isopropylmethylmalonate (CAS 58447-69-1) 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-methyl-2-propan-2-ylpropanedioate
Also Known As: Diethyl isopropylmethylmalonate, Diethyl methyl-iso-propylmalonate, 2,4-Dinitrobromobenzene, Diethyl methylisopropylmalonate, Diethyl isopropylmethyl malonate
| 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 | 7 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 58447-69-1 |
|---|---|
| SMILES | CCOC(=O)C(C)(C(C)C)C(=O)OCC |
| InChIKey | NQSVPQIOJRYMGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl isopropylmethylmalonate (CAS 58447-69-1), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: diethyl 2-methyl-2-propan-2-ylpropanedioate.
Chemical Property Profile of Diethyl isopropylmethylmalonate
Property Insights of Diethyl isopropylmethylmalonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isopropylmethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl isopropylmethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl isopropylmethylmalonate 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 isopropylmethylmalonate?
The CAS number of Diethyl isopropylmethylmalonate is 58447-69-1.
What is the molecular formula of Diethyl isopropylmethylmalonate?
The molecular formula of Diethyl isopropylmethylmalonate is C11H20O4.
What is the molecular weight of Diethyl isopropylmethylmalonate?
The molecular weight of Diethyl isopropylmethylmalonate is 216.14 g/mol.
Where can I buy Diethyl isopropylmethylmalonate?
You can request a quote for Diethyl isopropylmethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isopropylmethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isopropylmethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.