Diethyl isobutyroylmalonate
TL;DR: Diethyl isobutyroylmalonate (CAS 21633-78-3) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-methylpropanoyl)propanedioate
Also Known As: DIETHYL ISOBUTYROYLMALONATE, diethyl 2-isobutyrylmalonate, Diethylisobutyroylmalonate, diethyl2-isobutyrylmalonate, diethyl 2-(2-methylpropanoyl)propanedioate
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 21633-78-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(C)C)C(=O)OCC |
| InChIKey | CBFJLYQEACAOLC-UHFFFAOYSA-N |
Product Overview
Diethyl isobutyroylmalonate (CAS 21633-78-3), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: diethyl 2-(2-methylpropanoyl)propanedioate.
Chemical Property Profile of Diethyl isobutyroylmalonate
Property Insights of Diethyl isobutyroylmalonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isobutyroylmalonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl isobutyroylmalonate. Following Lipinski's Rule of Five, Diethyl isobutyroylmalonate has 0 hydrogen bond donor(s) and 5 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 isobutyroylmalonate?
The CAS number of Diethyl isobutyroylmalonate is 21633-78-3.
What is the molecular formula of Diethyl isobutyroylmalonate?
The molecular formula of Diethyl isobutyroylmalonate is C11H18O5.
What is the molecular weight of Diethyl isobutyroylmalonate?
The molecular weight of Diethyl isobutyroylmalonate is 230.12 g/mol.
Where can I buy Diethyl isobutyroylmalonate?
You can request a quote for Diethyl isobutyroylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isobutyroylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isobutyroylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.