(1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid
TL;DR: (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid (CAS 56549-09-8) is a chemical compound with molecular formula C7H6O6 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid
Also Known As: buta-1,3-diene-1c,2,4t-tricarboxylic acid
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.2772 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 298.1046 |
Chemical Identifiers
| CAS Number | 56549-09-8 |
|---|---|
| SMILES | C(=C/C(=O)O)\C(=C/C(=O)O)\C(=O)O |
Product Overview
(1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid (CAS 56549-09-8), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid.
Chemical Property Profile of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid
Property Insights of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid
The XLogP value of -0.2772 indicates that (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid. Following Lipinski's Rule of Five, (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid has 3 hydrogen bond donor(s) and 3 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 (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid?
The CAS number of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid is 56549-09-8.
What is the molecular formula of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid?
The molecular formula of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid is C7H6O6.
What is the molecular weight of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid?
The molecular weight of (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid is 186.02 g/mol.
Where can I buy (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid?
You can request a quote for (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1E,3E)-buta-1,3-diene-1,2,4-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.