Propane-1,1,2-tricarboxylic acid
TL;DR: Propane-1,1,2-tricarboxylic acid (CAS 61713-72-2) is a chemical compound with molecular formula C6H8O6 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propane-1,1,2-tricarboxylic acid
Also Known As: propane-1,1,2-tricarboxylic acid, 1,2-Propanetricarboxylic acid
| Molecular Formula | C6H8O6 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.03209 |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 61713-72-2 |
|---|---|
| SMILES | CC(C(C(=O)O)C(=O)O)C(=O)O |
| InChIKey | PCOWRECNVZIBKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propane-1,1,2-tricarboxylic acid (CAS 61713-72-2), with molecular formula C6H8O6 and molecular weight 176.03 g/mol. IUPAC: propane-1,1,2-tricarboxylic acid.
Chemical Property Profile of Propane-1,1,2-tricarboxylic acid
Property Insights of Propane-1,1,2-tricarboxylic acid
The XLogP value of -0.4 indicates that Propane-1,1,2-tricarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propane-1,1,2-tricarboxylic acid. Following Lipinski's Rule of Five, Propane-1,1,2-tricarboxylic acid 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 Propane-1,1,2-tricarboxylic acid?
The CAS number of Propane-1,1,2-tricarboxylic acid is 61713-72-2.
What is the molecular formula of Propane-1,1,2-tricarboxylic acid?
The molecular formula of Propane-1,1,2-tricarboxylic acid is C6H8O6.
What is the molecular weight of Propane-1,1,2-tricarboxylic acid?
The molecular weight of Propane-1,1,2-tricarboxylic acid is 176.03 g/mol.
Where can I buy Propane-1,1,2-tricarboxylic acid?
You can request a quote for Propane-1,1,2-tricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,1,2-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,1,2-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.