1,1,4,4-Butanetetracarboxylic acid
TL;DR: 1,1,4,4-Butanetetracarboxylic acid (CAS 4435-38-5) is a chemical compound with molecular formula C8H10O8 and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,1,4,4-tetracarboxylic acid
Also Known As: 1,1,4,4-Btca, 1,1,4,4-Butanetetracarboxylic acid, butane-1,1,4,4-tetracarboxylic acid, 1,1,4,4-tetracarboxy-butane, 1,1,4,4-butanetetracarboxylicacid
| Molecular Formula | C8H10O8 |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.03757 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 4435-38-5 |
|---|---|
| SMILES | C(CC(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O |
| InChIKey | CZORBZCFAPGTNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,4,4-Butanetetracarboxylic acid (CAS 4435-38-5), with molecular formula C8H10O8 and molecular weight 234.04 g/mol. IUPAC: butane-1,1,4,4-tetracarboxylic acid.
Chemical Property Profile of 1,1,4,4-Butanetetracarboxylic acid
Property Insights of 1,1,4,4-Butanetetracarboxylic acid
The XLogP value of -0.5 indicates that 1,1,4,4-Butanetetracarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 1,1,4,4-Butanetetracarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,4,4-Butanetetracarboxylic acid has 4 hydrogen bond donor(s) and 8 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 1,1,4,4-Butanetetracarboxylic acid?
The CAS number of 1,1,4,4-Butanetetracarboxylic acid is 4435-38-5.
What is the molecular formula of 1,1,4,4-Butanetetracarboxylic acid?
The molecular formula of 1,1,4,4-Butanetetracarboxylic acid is C8H10O8.
What is the molecular weight of 1,1,4,4-Butanetetracarboxylic acid?
The molecular weight of 1,1,4,4-Butanetetracarboxylic acid is 234.04 g/mol.
Where can I buy 1,1,4,4-Butanetetracarboxylic acid?
You can request a quote for 1,1,4,4-Butanetetracarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,4,4-Butanetetracarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4,4-Butanetetracarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.