Diisobutyl malonate
TL;DR: Diisobutyl malonate (CAS 50780-99-9) 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.
bis(2-methylpropyl) propanedioate
Also Known As: Diisobutyl malonate, diisobutylmalonate, bis(2-methylpropyl) propanedioate, malonic acid diisobutyl ester, EINECS 256-759-5
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 1.7749 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 186.63347 |
Chemical Identifiers
| CAS Number | 50780-99-9 |
|---|---|
| SMILES | CC(C)COC(=O)CC(=O)OCC(C)C |
Product Overview
Diisobutyl malonate (CAS 50780-99-9), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: bis(2-methylpropyl) propanedioate.
Chemical Property Profile of Diisobutyl malonate
Property Insights of Diisobutyl malonate
The XLogP value of 1.7749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisobutyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diisobutyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyl 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 Diisobutyl malonate?
The CAS number of Diisobutyl malonate is 50780-99-9.
What is the molecular formula of Diisobutyl malonate?
The molecular formula of Diisobutyl malonate is C11H20O4.
What is the molecular weight of Diisobutyl malonate?
The molecular weight of Diisobutyl malonate is 216.14 g/mol.
Where can I buy Diisobutyl malonate?
You can request a quote for Diisobutyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.