Diethyl 2-isopropyl-2-propylmalonate
TL;DR: Diethyl 2-isopropyl-2-propylmalonate (CAS 62391-98-4) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-propan-2-yl-2-propylpropanedioate
Also Known As: Diethyl 2-isopropyl-2-propylmalonate, Valproate Impurity 37, Valproic Acid Impurity 6, starbld0002325, Valproate Sodium Impurity 19
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 62391-98-4 |
|---|---|
| SMILES | CCCC(C(C)C)(C(=O)OCC)C(=O)OCC |
| InChIKey | OFOXHBRNNXYCMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-isopropyl-2-propylmalonate (CAS 62391-98-4), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: diethyl 2-propan-2-yl-2-propylpropanedioate.
Chemical Property Profile of Diethyl 2-isopropyl-2-propylmalonate
Property Insights of Diethyl 2-isopropyl-2-propylmalonate
The XLogP value of 3.5 indicates that Diethyl 2-isopropyl-2-propylmalonate 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 2-isopropyl-2-propylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-isopropyl-2-propylmalonate 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 2-isopropyl-2-propylmalonate?
The CAS number of Diethyl 2-isopropyl-2-propylmalonate is 62391-98-4.
What is the molecular formula of Diethyl 2-isopropyl-2-propylmalonate?
The molecular formula of Diethyl 2-isopropyl-2-propylmalonate is C13H24O4.
What is the molecular weight of Diethyl 2-isopropyl-2-propylmalonate?
The molecular weight of Diethyl 2-isopropyl-2-propylmalonate is 244.17 g/mol.
Where can I buy Diethyl 2-isopropyl-2-propylmalonate?
You can request a quote for Diethyl 2-isopropyl-2-propylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-isopropyl-2-propylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-isopropyl-2-propylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.