偏苯三甲酸
TL;DR: 偏苯三甲酸 (CAS 528-44-9) is a chemical compound with molecular formula C9H6O6 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
偏苯三甲酸
benzene-1,2,4-tricarboxylic acid
Also Known As: 1,2,4-Benzenetricarboxylic acid, TRIMELLITIC ACID, Benzene-1,2,4-tricarboxylic acid, 1,2,4-Tricarboxybenzene, Trimellic Acid
| Molecular Formula | C9H6O6 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.01643 |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
| Vapor Pressure | 0.00000003 [mmHg] |
Chemical Identifiers
| CAS Number | 528-44-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | ARCGXLSVLAOJQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
偏苯三甲酸 (CAS 528-44-9), with molecular formula C9H6O6 and molecular weight 210.02 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid.
Chemical Property Profile of 偏苯三甲酸
Property Insights of 偏苯三甲酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 偏苯三甲酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 偏苯三甲酸. Following Lipinski's Rule of Five, 偏苯三甲酸 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 偏苯三甲酸?
The CAS number of 偏苯三甲酸 is 528-44-9.
What is the molecular formula of 偏苯三甲酸?
The molecular formula of 偏苯三甲酸 is C9H6O6.
What is the molecular weight of 偏苯三甲酸?
The molecular weight of 偏苯三甲酸 is 210.02 g/mol.
Where can I buy 偏苯三甲酸?
You can request a quote for 偏苯三甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 偏苯三甲酸?
Yes, KEHONG BIO provides custom synthesis services for 偏苯三甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.