2-Butynedioic acid
TL;DR: 2-Butynedioic acid (CAS 142-45-0) is a chemical compound with molecular formula C4H2O4 and molecular weight 113.99531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-ynedioic acid
Also Known As: acetylenedicarboxylic acid, 2-butynedioic acid, but-2-ynedioic acid, Butynedioic acid, acetylenedicarboxylate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H2O4 |
| Molecular Weight | 113.99531 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.99531 Da |
| Heavy Atoms | 8 |
| Complexity | 161.0 |
| SMILES | C(#CC(=O)O)C(=O)O |
| InChIKey | YTIVTFGABIZHHX-UHFFFAOYSA-N |
Product Description
Applications: 2-Butynedioic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Butynedioic acid (CAS 142-45-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Butynedioic acid (CAS 142-45-0) is a pharmaceutical intermediate with the molecular formula C4H2O4 and a molecular weight of 114 g/mol. It is also known as acetylenedicarboxylic acid and 2-butynedioic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Butynedioic acid
Property Insights of 2-Butynedioic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butynedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butynedioic acid. Following Lipinski's Rule of Five, 2-Butynedioic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butynedioic acid?
The CAS number of 2-Butynedioic acid is 142-45-0.
What is the molecular formula of 2-Butynedioic acid?
The molecular formula of 2-Butynedioic acid is C4H2O4.
What is the molecular weight of 2-Butynedioic acid?
The molecular weight of 2-Butynedioic acid is 113.99531 g/mol.
What are the applications of 2-Butynedioic acid?
2-Butynedioic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Butynedioic acid (CAS 142-45-0)...
Where can I buy 2-Butynedioic acid?
You can request a quote for 2-Butynedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butynedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Butynedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.