4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid
TL;DR: 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid (CAS 189459-95-8) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-prop-2-ynoxybutanoic acid
Also Known As: 4-oxo-4-(prop-2-yn-1-yloxy)butanoic acid, Butanedioic acid, monopropargyl ester, 4-oxo-4-prop-2-ynoxybutanoic acid, Succinic acid 1-propargyl ester, 4-Oxo-4-(2-propynyloxy)butanoic acid
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 189459-95-8 |
|---|---|
| SMILES | C#CCOC(=O)CCC(=O)O |
| InChIKey | UUQVIQXTETXLJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid (CAS 189459-95-8), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 4-oxo-4-prop-2-ynoxybutanoic acid.
Chemical Property Profile of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid
Property Insights of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid
The XLogP value of -0.3 indicates that 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic 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-(prop-2-yn-1-yloxy)butanoic acid?
The CAS number of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid is 189459-95-8.
What is the molecular formula of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid?
The molecular formula of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid is C7H8O4.
What is the molecular weight of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid?
The molecular weight of 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid is 156.04 g/mol.
Where can I buy 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid?
You can request a quote for 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic 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-(prop-2-yn-1-yloxy)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(prop-2-yn-1-yloxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.