1,2-Cyclobutanedione
TL;DR: 1,2-Cyclobutanedione (CAS 33689-28-0) 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-1,2-dione
Also Known As: 1,2-Cyclobutanedione, cyclobutane-1,2-dione, cyclobutanedione, TIOTIDINE, 1,2-Cylobutanedione
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | -0.8 |
| 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 | 90.0 |
Chemical Identifiers
| CAS Number | 33689-28-0 |
|---|---|
| SMILES | C1CC(=O)C1=O |
| InChIKey | QDMRCCGQLCIMLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Cyclobutanedione (CAS 33689-28-0), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: cyclobutane-1,2-dione.
Chemical Property Profile of 1,2-Cyclobutanedione
Property Insights of 1,2-Cyclobutanedione
The XLogP value of -0.8 indicates that 1,2-Cyclobutanedione 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, 1,2-Cyclobutanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cyclobutanedione 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 1,2-Cyclobutanedione?
The CAS number of 1,2-Cyclobutanedione is 33689-28-0.
What is the molecular formula of 1,2-Cyclobutanedione?
The molecular formula of 1,2-Cyclobutanedione is C4H4O2.
What is the molecular weight of 1,2-Cyclobutanedione?
The molecular weight of 1,2-Cyclobutanedione is 84.02 g/mol.
Where can I buy 1,2-Cyclobutanedione?
You can request a quote for 1,2-Cyclobutanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclobutanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclobutanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.