Piquindone
TL;DR: Piquindone (CAS 78541-97-6) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
Also Known As: Piquindone, Piquindonum, Piquindona, Piquindone [INN], Piquindonum [Latin]
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 78541-97-6 |
|---|---|
| SMILES | CCC1=C(NC2=C1C(=O)[C@@H]3CN(CC[C@H]3C2)C)C |
| InChIKey | PVZMYDPRVUCJKV-CMPLNLGQSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piquindone (CAS 78541-97-6), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: (4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one.
Chemical Property Profile of Piquindone
Property Insights of Piquindone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piquindone. With a topological polar surface area (TPSA) of 36.1 Ų, Piquindone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piquindone has 1 hydrogen bond donor(s) and 2 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 Piquindone?
The CAS number of Piquindone is 78541-97-6.
What is the molecular formula of Piquindone?
The molecular formula of Piquindone is C15H22N2O.
What is the molecular weight of Piquindone?
The molecular weight of Piquindone is 246.17 g/mol.
Where can I buy Piquindone?
You can request a quote for Piquindone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piquindone?
Yes, KEHONG BIO provides custom synthesis services for Piquindone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.