Pentane-1,3,5-tricarboxylic acid
TL;DR: Pentane-1,3,5-tricarboxylic acid (CAS 6940-58-5) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentane-1,3,5-tricarboxylic acid
Also Known As: 1,3,5-Pentanetricarboxylic acid, Pentane-1,3,5-tricarboxylic acid, Octric acid, 4-Carboxypimelic acid, 1,5-Tricarboxypentane
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 6940-58-5 |
|---|---|
| SMILES | C(CC(=O)O)C(CCC(=O)O)C(=O)O |
| InChIKey | ROTJZTYLACIJIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane-1,3,5-tricarboxylic acid (CAS 6940-58-5), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: pentane-1,3,5-tricarboxylic acid.
Chemical Property Profile of Pentane-1,3,5-tricarboxylic acid
Property Insights of Pentane-1,3,5-tricarboxylic acid
The XLogP value of -0.5 indicates that Pentane-1,3,5-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 Pentane-1,3,5-tricarboxylic acid. Following Lipinski's Rule of Five, Pentane-1,3,5-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 Pentane-1,3,5-tricarboxylic acid?
The CAS number of Pentane-1,3,5-tricarboxylic acid is 6940-58-5.
What is the molecular formula of Pentane-1,3,5-tricarboxylic acid?
The molecular formula of Pentane-1,3,5-tricarboxylic acid is C8H12O6.
What is the molecular weight of Pentane-1,3,5-tricarboxylic acid?
The molecular weight of Pentane-1,3,5-tricarboxylic acid is 204.06 g/mol.
Where can I buy Pentane-1,3,5-tricarboxylic acid?
You can request a quote for Pentane-1,3,5-tricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-1,3,5-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pentane-1,3,5-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.