Adamantane-1,3,5-tricarboxylic acid
TL;DR: Adamantane-1,3,5-tricarboxylic acid (CAS 60725-95-3) is a chemical compound with molecular formula C13H16O6 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
adamantane-1,3,5-tricarboxylic acid
Also Known As: adamantane-1,3,5-tricarboxylic acid, 1,3,5-tricarboxyadamantane, 1,3,5-Adamantane tricarboxylic acid, (1r)-adamantane-1,3,5-tricarboxylic acid, J2.568.192D
| Molecular Formula | C13H16O6 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0947 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 60725-95-3 |
|---|---|
| SMILES | C1C2CC3(CC1(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | IGSDAEDEJRBTEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adamantane-1,3,5-tricarboxylic acid (CAS 60725-95-3), with molecular formula C13H16O6 and molecular weight 268.09 g/mol. IUPAC: adamantane-1,3,5-tricarboxylic acid.
Chemical Property Profile of Adamantane-1,3,5-tricarboxylic acid
Property Insights of Adamantane-1,3,5-tricarboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adamantane-1,3,5-tricarboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adamantane-1,3,5-tricarboxylic acid. Following Lipinski's Rule of Five, Adamantane-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 Adamantane-1,3,5-tricarboxylic acid?
The CAS number of Adamantane-1,3,5-tricarboxylic acid is 60725-95-3.
What is the molecular formula of Adamantane-1,3,5-tricarboxylic acid?
The molecular formula of Adamantane-1,3,5-tricarboxylic acid is C13H16O6.
What is the molecular weight of Adamantane-1,3,5-tricarboxylic acid?
The molecular weight of Adamantane-1,3,5-tricarboxylic acid is 268.09 g/mol.
Where can I buy Adamantane-1,3,5-tricarboxylic acid?
You can request a quote for Adamantane-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 Adamantane-1,3,5-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Adamantane-1,3,5-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.