3,4-Diisopropoxy-3-cyclobutene-1,2-dione
TL;DR: 3,4-Diisopropoxy-3-cyclobutene-1,2-dione (CAS 61699-62-5) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione
Also Known As: 3,4-Diisopropoxy-3-cyclobutene-1,2-dione, Diisopropyl squarate, 3,4-Diisopropoxycyclobut-3-ene-1,2-dione, Squaric acid diisopropyl, diisopropoxycyclobut-3-ene-1,2-dione
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 61699-62-5 |
|---|---|
| SMILES | CC(C)OC1=C(C(=O)C1=O)OC(C)C |
| InChIKey | KCZPGGVPQXQGEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diisopropoxy-3-cyclobutene-1,2-dione (CAS 61699-62-5), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione
Property Insights of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diisopropoxy-3-cyclobutene-1,2-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-Diisopropoxy-3-cyclobutene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diisopropoxy-3-cyclobutene-1,2-dione 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 3,4-Diisopropoxy-3-cyclobutene-1,2-dione?
The CAS number of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione is 61699-62-5.
What is the molecular formula of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione?
The molecular formula of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione is C10H14O4.
What is the molecular weight of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione?
The molecular weight of 3,4-Diisopropoxy-3-cyclobutene-1,2-dione is 198.09 g/mol.
Where can I buy 3,4-Diisopropoxy-3-cyclobutene-1,2-dione?
You can request a quote for 3,4-Diisopropoxy-3-cyclobutene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diisopropoxy-3-cyclobutene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diisopropoxy-3-cyclobutene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.