丁-1,3-二烯-1,2,4-三甲酸
TL;DR: 丁-1,3-二烯-1,2,4-三甲酸 (CAS 109467-28-9) 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.
丁-1,3-二烯-1,2,4-三甲酸
buta-1,3-diene-1,2,4-tricarboxylic acid
Also Known As: buta-1,3-diene-1,2,4-tricarboxylic acid, 1,3-Butadiene-1,2,4-tricarboxylic acid,(Z,Z), 1,3-Butadiene-1,2,4-tricarboxylic acid, (Z,Z)-, 1,3-Butadiene-1,2,4-tricarboxylicacid, (1E,3Z)-, RefChem:1080229
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 109467-28-9 |
|---|---|
| SMILES | C(=CC(=O)O)C(=CC(=O)O)C(=O)O |
| InChIKey | KJOVGYUGXHIVAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁-1,3-二烯-1,2,4-三甲酸 (CAS 109467-28-9), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: buta-1,3-diene-1,2,4-tricarboxylic acid.
Chemical Property Profile of 丁-1,3-二烯-1,2,4-三甲酸
Property Insights of 丁-1,3-二烯-1,2,4-三甲酸
The XLogP value of -0.5 indicates that 丁-1,3-二烯-1,2,4-三甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁-1,3-二烯-1,2,4-三甲酸. Following Lipinski's Rule of Five, 丁-1,3-二烯-1,2,4-三甲酸 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
Frequently Asked Questions
What is the CAS number of 丁-1,3-二烯-1,2,4-三甲酸?
The CAS number of 丁-1,3-二烯-1,2,4-三甲酸 is 109467-28-9.
What is the molecular formula of 丁-1,3-二烯-1,2,4-三甲酸?
The molecular formula of 丁-1,3-二烯-1,2,4-三甲酸 is C7H6O6.
What is the molecular weight of 丁-1,3-二烯-1,2,4-三甲酸?
The molecular weight of 丁-1,3-二烯-1,2,4-三甲酸 is 186.02 g/mol.
Where can I buy 丁-1,3-二烯-1,2,4-三甲酸?
You can request a quote for 丁-1,3-二烯-1,2,4-三甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁-1,3-二烯-1,2,4-三甲酸?
Yes, KEHONG BIO provides custom synthesis services for 丁-1,3-二烯-1,2,4-三甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.