4-(2-Methylpropoxy)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid (CAS 925-05-3) 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.
4-(2-methylpropoxy)-4-oxobut-2-enoic acid
Also Known As: isobutyl maleate, Isobutyl hydrogen maleate, Maleic acid, monoisobutyl ester, 2-Butenedioic acid (2Z)-, mono(2-methylpropyl) ester, 2-Butenedioic acid (Z)-, mono(2-methylpropyl) ester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 925-05-3 |
|---|---|
| SMILES | CC(C)COC(=O)C=CC(=O)O |
| InChIKey | UKXDHEBARGMWMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Methylpropoxy)-4-oxobut-2-enoic acid (CAS 925-05-3), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 4-(2-methylpropoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid has 1 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 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid is 925-05-3.
What is the molecular formula of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid is C8H12O4.
What is the molecular weight of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid is 172.07 g/mol.
Where can I buy 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.