5-Hydroxybenzene-1,2,4-tricarboxylic acid
TL;DR: 5-Hydroxybenzene-1,2,4-tricarboxylic acid (CAS 4961-03-9) is a chemical compound with molecular formula C9H6O7 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxybenzene-1,2,4-tricarboxylic acid
Also Known As: 5-hydroxybenzene-1,2,4-tricarboxylic acid, 2,4,5-Phenoltricarboxylic acid, 5-hydroxy-1,2,4-benzenetricarboxylic acid, 4-Hydroxy-benzene-1,2,5-tricarboxylic acid, 5-hydroxy- 1,2,4-Benzenetricarboxylic acid
| Molecular Formula | C9H6O7 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 0.4868 |
| Topological Polar Surface Area | 132.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.01135 |
| Heavy Atoms | 16 |
| Complexity | 488.87604 |
Chemical Identifiers
| CAS Number | 4961-03-9 |
|---|---|
| SMILES | C1=C(C(=CC(=C1C(=O)O)O)C(=O)O)C(=O)O |
Product Overview
5-Hydroxybenzene-1,2,4-tricarboxylic acid (CAS 4961-03-9), with molecular formula C9H6O7 and molecular weight 226.01 g/mol. IUPAC: 5-hydroxybenzene-1,2,4-tricarboxylic acid.
Chemical Property Profile of 5-Hydroxybenzene-1,2,4-tricarboxylic acid
Property Insights of 5-Hydroxybenzene-1,2,4-tricarboxylic acid
The XLogP value of 0.4868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxybenzene-1,2,4-tricarboxylic acid. The TPSA of 132.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxybenzene-1,2,4-tricarboxylic acid. Following Lipinski's Rule of Five, 5-Hydroxybenzene-1,2,4-tricarboxylic acid has 4 hydrogen bond donor(s) and 4 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 5-Hydroxybenzene-1,2,4-tricarboxylic acid?
The CAS number of 5-Hydroxybenzene-1,2,4-tricarboxylic acid is 4961-03-9.
What is the molecular formula of 5-Hydroxybenzene-1,2,4-tricarboxylic acid?
The molecular formula of 5-Hydroxybenzene-1,2,4-tricarboxylic acid is C9H6O7.
What is the molecular weight of 5-Hydroxybenzene-1,2,4-tricarboxylic acid?
The molecular weight of 5-Hydroxybenzene-1,2,4-tricarboxylic acid is 226.01 g/mol.
Where can I buy 5-Hydroxybenzene-1,2,4-tricarboxylic acid?
You can request a quote for 5-Hydroxybenzene-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 5-Hydroxybenzene-1,2,4-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxybenzene-1,2,4-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.