Diisobutyl fumarate
TL;DR: Diisobutyl fumarate (CAS 7283-69-4) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) (E)-but-2-enedioate
Also Known As: Diisobutyl fumarate, FUMARIC ACID, DIISOBUTYL ESTER, DIISOBUTYLFUMARATE, Diisobutylester kyseliny fumarove, Piperazine estrone sulfate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.941 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 227.74437 |
Chemical Identifiers
| CAS Number | 7283-69-4 |
|---|---|
| SMILES | CC(C)COC(=O)/C=C/C(=O)OCC(C)C |
Product Overview
Diisobutyl fumarate (CAS 7283-69-4), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: bis(2-methylpropyl) (E)-but-2-enedioate.
Chemical Property Profile of Diisobutyl fumarate
Property Insights of Diisobutyl fumarate
The XLogP value of 1.941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisobutyl fumarate. With a topological polar surface area (TPSA) of 52.6 Ų, Diisobutyl fumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyl fumarate 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 fumarate?
The CAS number of Diisobutyl fumarate is 7283-69-4.
What is the molecular formula of Diisobutyl fumarate?
The molecular formula of Diisobutyl fumarate is C12H20O4.
What is the molecular weight of Diisobutyl fumarate?
The molecular weight of Diisobutyl fumarate is 228.14 g/mol.
Where can I buy Diisobutyl fumarate?
You can request a quote for Diisobutyl fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl fumarate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.