Paspalic acid
TL;DR: Paspalic acid (CAS 5516-88-1) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
Also Known As: Paspalic acid, Ergoline-8-carboxylic acid, 8,9-didehydro-6-methyl-, .DELTA.8-LYSERGIC ACID, 6-Methyl-delta 8,9-ergoline-8-carboxylic acid, Methylergometrine Maleate Impurity 11
Technical Specifications
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.1212 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 56.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1212 Da |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
| SMILES | CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O |
| InChIKey | RJNCJTROKRDRBW-TZMCWYRMSA-N |
Chemical Property Profile of Paspalic acid
Property Insights of Paspalic acid
The XLogP value of -0.4 indicates that Paspalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.3 Ų, Paspalic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paspalic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Paspalic acid?
The CAS number of Paspalic acid is 5516-88-1.
What is the molecular formula of Paspalic acid?
The molecular formula of Paspalic acid is C16H16N2O2.
What is the molecular weight of Paspalic acid?
The molecular weight of Paspalic acid is 268.1212 g/mol.
Where can I buy Paspalic acid?
You can request a quote for Paspalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Paspalic acid?
Yes, CoreyChem provides custom synthesis services for Paspalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.