4-Oxo-4-propan-2-yloxybut-2-enoic acid
TL;DR: 4-Oxo-4-propan-2-yloxybut-2-enoic acid (CAS 924-83-4) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-propan-2-yloxybut-2-enoic acid
Also Known As: Monoisopropyl maleate, Monoisopropylfumarate, Isopropyl maleate half ester, Isopropyl hydrogen maleate, 4-oxo-4-propan-2-yloxybut-2-enoic acid
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 924-83-4 |
|---|---|
| SMILES | CC(C)OC(=O)C=CC(=O)O |
| InChIKey | FWUIHQFQLSWYED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-propan-2-yloxybut-2-enoic acid (CAS 924-83-4), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 4-oxo-4-propan-2-yloxybut-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-propan-2-yloxybut-2-enoic acid
Property Insights of 4-Oxo-4-propan-2-yloxybut-2-enoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-propan-2-yloxybut-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-propan-2-yloxybut-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-propan-2-yloxybut-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-Oxo-4-propan-2-yloxybut-2-enoic acid?
The CAS number of 4-Oxo-4-propan-2-yloxybut-2-enoic acid is 924-83-4.
What is the molecular formula of 4-Oxo-4-propan-2-yloxybut-2-enoic acid?
The molecular formula of 4-Oxo-4-propan-2-yloxybut-2-enoic acid is C7H10O4.
What is the molecular weight of 4-Oxo-4-propan-2-yloxybut-2-enoic acid?
The molecular weight of 4-Oxo-4-propan-2-yloxybut-2-enoic acid is 158.06 g/mol.
Where can I buy 4-Oxo-4-propan-2-yloxybut-2-enoic acid?
You can request a quote for 4-Oxo-4-propan-2-yloxybut-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-Oxo-4-propan-2-yloxybut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-propan-2-yloxybut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.