3-Cyclobutene-1,2-dione, 3,4-dimethyl-
TL;DR: 3-Cyclobutene-1,2-dione, 3,4-dimethyl- (CAS 1121-15-9) is a chemical compound with molecular formula CC1=C(C(=O)C1=O)C and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylcyclobut-3-ene-1,2-dione
Also Known As: dimethylcyclobutenedione, 3-Cyclobutene-1,2-dione, 3,4-dimethyl-, 3,4-dimethylcyclobut-3-ene-1,2-dione, 3,4-Dimethyl-3-cyclobutene-1,2-dione, 3,4-dimethyl-cyclobut-3-ene-1,2-dione
| Molecular Formula | CC1=C(C(=O)C1=O)C |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 1121-15-9 |
|---|---|
| SMILES | CC1=C(C(=O)C1=O)C |
| InChIKey | XSPNWUVAVYEPBO-UHFFFAOYSA-N |
Product Overview
3-Cyclobutene-1,2-dione, 3,4-dimethyl- (CAS 1121-15-9), with molecular formula CC1=C(C(=O)C1=O)C and molecular weight 110.04 g/mol. IUPAC: 3,4-dimethylcyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Cyclobutene-1,2-dione, 3,4-dimethyl-
Property Insights of 3-Cyclobutene-1,2-dione, 3,4-dimethyl-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclobutene-1,2-dione, 3,4-dimethyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Cyclobutene-1,2-dione, 3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclobutene-1,2-dione, 3,4-dimethyl- 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 3-Cyclobutene-1,2-dione, 3,4-dimethyl-?
The CAS number of 3-Cyclobutene-1,2-dione, 3,4-dimethyl- is 1121-15-9.
What is the molecular formula of 3-Cyclobutene-1,2-dione, 3,4-dimethyl-?
The molecular formula of 3-Cyclobutene-1,2-dione, 3,4-dimethyl- is CC1=C(C(=O)C1=O)C.
What is the molecular weight of 3-Cyclobutene-1,2-dione, 3,4-dimethyl-?
The molecular weight of 3-Cyclobutene-1,2-dione, 3,4-dimethyl- is 110.04 g/mol.
Where can I buy 3-Cyclobutene-1,2-dione, 3,4-dimethyl-?
You can request a quote for 3-Cyclobutene-1,2-dione, 3,4-dimethyl- 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-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclobutene-1,2-dione, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.