苯-1,2,4-三甲酸;丙酸
TL;DR: 苯-1,2,4-三甲酸;丙酸 (CAS 70955-60-1) is a chemical compound with molecular formula C12H12O8 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯-1,2,4-三甲酸;丙酸
benzene-1,2,4-tricarboxylic acid;propanoic acid
Also Known As: C4-8-Alkyl trimellitates, Trimellitic acid, (C4-C8)alkyl esters, benzene-1,2,4-tricarboxylic acid; propanoic acid, 1,2,4-Benzenetricarboxylic acid, C4-8-alkyl esters
| Molecular Formula | C12H12O8 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 1.26 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.05322 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 70955-60-1 |
|---|---|
| SMILES | CCC(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | BJXIAMDLGFJMPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯-1,2,4-三甲酸;丙酸 (CAS 70955-60-1), with molecular formula C12H12O8 and molecular weight 284.05 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;propanoic acid.
Chemical Property Profile of 苯-1,2,4-三甲酸;丙酸
Property Insights of 苯-1,2,4-三甲酸;丙酸
The XLogP value of 1.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯-1,2,4-三甲酸;丙酸. The TPSA of 149.0 Ų indicates high polarity, suggesting 苯-1,2,4-三甲酸;丙酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苯-1,2,4-三甲酸;丙酸 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 苯-1,2,4-三甲酸;丙酸?
The CAS number of 苯-1,2,4-三甲酸;丙酸 is 70955-60-1.
What is the molecular formula of 苯-1,2,4-三甲酸;丙酸?
The molecular formula of 苯-1,2,4-三甲酸;丙酸 is C12H12O8.
What is the molecular weight of 苯-1,2,4-三甲酸;丙酸?
The molecular weight of 苯-1,2,4-三甲酸;丙酸 is 284.05 g/mol.
Where can I buy 苯-1,2,4-三甲酸;丙酸?
You can request a quote for 苯-1,2,4-三甲酸;丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯-1,2,4-三甲酸;丙酸?
Yes, KEHONG BIO provides custom synthesis services for 苯-1,2,4-三甲酸;丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.