1,3-Butadiene-1,1,4-tricarboxylic acid
TL;DR: 1,3-Butadiene-1,1,4-tricarboxylic acid (CAS 59826-67-4) is a chemical compound with molecular formula C7H6O6 and molecular weight 186.01643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
buta-1,3-diene-1,1,4-tricarboxylic acid
Also Known As: 1,3-Butadiene-1,1,4-tricarboxylic acid, buta-1,3-diene-1,1,4-tricarboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O6 |
| Molecular Weight | 186.01643 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.01643 Da |
| Heavy Atoms | 13 |
| Complexity | 282.0 |
| SMILES | C(=CC(=O)O)C=C(C(=O)O)C(=O)O |
| InChIKey | SLUDRBHRUDRZJZ-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Butadiene-1,1,4-tricarboxylic acid is used in biotechnology workflows and life-science research, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Butadiene-1,1,4-tricarboxylic acid (CAS 59826-67-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A biotechnology compound supplied by CoreyChem, 1,3-Butadiene-1,1,4-tricarboxylic acid (CAS 59826-67-4) has the molecular formula C7H6O6 and a molecular weight of 186.02 g/mol. It is also known as 1,3-Butadiene-1,1,4-tricarboxylic acid and buta-1,3-diene-1,1,4-tricarboxylic 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 1,3-Butadiene-1,1,4-tricarboxylic acid
Property Insights of 1,3-Butadiene-1,1,4-tricarboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadiene-1,1,4-tricarboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butadiene-1,1,4-tricarboxylic acid. Following Lipinski's Rule of Five, 1,3-Butadiene-1,1,4-tricarboxylic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Butadiene-1,1,4-tricarboxylic acid?
The CAS number of 1,3-Butadiene-1,1,4-tricarboxylic acid is 59826-67-4.
What is the molecular formula of 1,3-Butadiene-1,1,4-tricarboxylic acid?
The molecular formula of 1,3-Butadiene-1,1,4-tricarboxylic acid is C7H6O6.
What is the molecular weight of 1,3-Butadiene-1,1,4-tricarboxylic acid?
The molecular weight of 1,3-Butadiene-1,1,4-tricarboxylic acid is 186.01643 g/mol.
What are the applications of 1,3-Butadiene-1,1,4-tricarboxylic acid?
1,3-Butadiene-1,1,4-tricarboxylic acid is used in biotechnology workflows and life-science research, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1,3-Butadiene-1,1,4-tricarboxylic acid?
You can request a quote for 1,3-Butadiene-1,1,4-tricarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butadiene-1,1,4-tricarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1,3-Butadiene-1,1,4-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.