Diethyl isopropylmalonate
TL;DR: Diethyl isopropylmalonate (CAS 759-36-4) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-propan-2-ylpropanedioate
Also Known As: DIETHYL ISOPROPYLMALONATE, Diethyl 2-isopropylmalonate, Isopropyl diethyl malonate, Diethylisopropylmalonate, Ethyl isopropylmalonate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 759-36-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)C(=O)OCC |
| InChIKey | BYQFBFWERHXONI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl isopropylmalonate (CAS 759-36-4), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: diethyl 2-propan-2-ylpropanedioate.
Chemical Property Profile of Diethyl isopropylmalonate
Property Insights of Diethyl isopropylmalonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isopropylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl isopropylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl isopropylmalonate 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 isopropylmalonate?
The CAS number of Diethyl isopropylmalonate is 759-36-4.
What is the molecular formula of Diethyl isopropylmalonate?
The molecular formula of Diethyl isopropylmalonate is C10H18O4.
What is the molecular weight of Diethyl isopropylmalonate?
The molecular weight of Diethyl isopropylmalonate is 202.12 g/mol.
Where can I buy Diethyl isopropylmalonate?
You can request a quote for Diethyl isopropylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isopropylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isopropylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.