2-phenylpropane-1,2,3-tricarboxylic Acid
TL;DR: 2-phenylpropane-1,2,3-tricarboxylic Acid (CAS 22812-63-1) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylpropane-1,2,3-tricarboxylic acid
Also Known As: 2-phenylpropane-1,2,3-tricarboxylic Acid, 3-Carboxy-3-phenyl-pentanedioic acid
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 0.9584 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 448.7158 |
Chemical Identifiers
| CAS Number | 22812-63-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)(CC(=O)O)C(=O)O |
Product Overview
2-phenylpropane-1,2,3-tricarboxylic Acid (CAS 22812-63-1), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: 2-phenylpropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 2-phenylpropane-1,2,3-tricarboxylic Acid
Property Insights of 2-phenylpropane-1,2,3-tricarboxylic Acid
The XLogP value of 0.9584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenylpropane-1,2,3-tricarboxylic Acid. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenylpropane-1,2,3-tricarboxylic Acid. Following Lipinski's Rule of Five, 2-phenylpropane-1,2,3-tricarboxylic Acid has 3 hydrogen bond donor(s) and 3 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 2-phenylpropane-1,2,3-tricarboxylic Acid?
The CAS number of 2-phenylpropane-1,2,3-tricarboxylic Acid is 22812-63-1.
What is the molecular formula of 2-phenylpropane-1,2,3-tricarboxylic Acid?
The molecular formula of 2-phenylpropane-1,2,3-tricarboxylic Acid is C12H12O6.
What is the molecular weight of 2-phenylpropane-1,2,3-tricarboxylic Acid?
The molecular weight of 2-phenylpropane-1,2,3-tricarboxylic Acid is 252.06 g/mol.
Where can I buy 2-phenylpropane-1,2,3-tricarboxylic Acid?
You can request a quote for 2-phenylpropane-1,2,3-tricarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenylpropane-1,2,3-tricarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-phenylpropane-1,2,3-tricarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.