3-Cyclobutene-1,2-dione, 3,4-dimethoxy-
TL;DR: 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- (CAS 5222-73-1) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxycyclobut-3-ene-1,2-dione
Also Known As: 3,4-Dimethoxy-3-cyclobutene-1,2-dione, Dimethyl squarate, 3,4-dimethoxycyclobut-3-ene-1,2-dione, dimethoxycyclobut-3-ene-1,2-dione, Squaric acid dimethyl ester
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5222-73-1 |
|---|---|
| SMILES | COC1=C(C(=O)C1=O)OC |
| InChIKey | SZBNZTGCAMLMJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclobutene-1,2-dione, 3,4-dimethoxy- (CAS 5222-73-1), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: 3,4-dimethoxycyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-
Property Insights of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-
The XLogP value of -0.1 indicates that 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- has 0 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 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-?
The CAS number of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- is 5222-73-1.
What is the molecular formula of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-?
The molecular formula of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- is C6H6O4.
What is the molecular weight of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-?
The molecular weight of 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- is 142.03 g/mol.
Where can I buy 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-?
You can request a quote for 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclobutene-1,2-dione, 3,4-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclobutene-1,2-dione, 3,4-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.