Monoisobutyl maleate
TL;DR: Monoisobutyl maleate (CAS 67906-92-7) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(2-methylpropoxy)-4-oxobut-2-enoic acid
Also Known As: monoisobutyl maleate, isobutyl maleate, Isobutyl hydrogen maleate, Maleic acid, monoisobutyl ester, Maleinsaureisobutylester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.8264 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 193.23454 |
Chemical Identifiers
| CAS Number | 67906-92-7 |
|---|---|
| SMILES | CC(C)COC(=O)/C=C\C(=O)O |
Product Overview
Monoisobutyl maleate (CAS 67906-92-7), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: (Z)-4-(2-methylpropoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of Monoisobutyl maleate
Property Insights of Monoisobutyl maleate
The XLogP value of 0.8264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoisobutyl maleate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoisobutyl maleate. Following Lipinski's Rule of Five, Monoisobutyl maleate has 1 hydrogen bond donor(s) and 3 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 Monoisobutyl maleate?
The CAS number of Monoisobutyl maleate is 67906-92-7.
What is the molecular formula of Monoisobutyl maleate?
The molecular formula of Monoisobutyl maleate is C8H12O4.
What is the molecular weight of Monoisobutyl maleate?
The molecular weight of Monoisobutyl maleate is 172.07 g/mol.
Where can I buy Monoisobutyl maleate?
You can request a quote for Monoisobutyl maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoisobutyl maleate?
Yes, KEHONG BIO provides custom synthesis services for Monoisobutyl maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.