Cyclobutane-1,3-dione
TL;DR: Cyclobutane-1,3-dione (CAS 15506-53-3) is a chemical compound with molecular formula C4H4O2 and molecular weight 84.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclobutane-1,3-dione
Also Known As: Cyclobutane-1,3-dione, 1,3-CYCLOBUTANEDIONE, Ketene dimer, 1,3 cyclobutanedione, RefChem:334911
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.021126 |
| Heavy Atoms | 6 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 15506-53-3 |
|---|---|
| SMILES | C1C(=O)CC1=O |
| InChIKey | PZQGSZRQKQZCOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclobutane-1,3-dione (CAS 15506-53-3), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: cyclobutane-1,3-dione.
Chemical Property Profile of Cyclobutane-1,3-dione
Property Insights of Cyclobutane-1,3-dione
The XLogP value of -0.1 indicates that Cyclobutane-1,3-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, Cyclobutane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutane-1,3-dione has 0 hydrogen bond donor(s) and 2 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 Cyclobutane-1,3-dione?
The CAS number of Cyclobutane-1,3-dione is 15506-53-3.
What is the molecular formula of Cyclobutane-1,3-dione?
The molecular formula of Cyclobutane-1,3-dione is C4H4O2.
What is the molecular weight of Cyclobutane-1,3-dione?
The molecular weight of Cyclobutane-1,3-dione is 84.02 g/mol.
Where can I buy Cyclobutane-1,3-dione?
You can request a quote for Cyclobutane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.