Pinafide
TL;DR: Pinafide (CAS 54824-20-3) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
Also Known As: Pinafide, Pinafida, Pinafidum, Pinafide [INN], Pinafidum [INN-Latin]
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 54824-20-3 |
|---|---|
| SMILES | C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-] |
| InChIKey | GBOQUHPYCRYKGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pinafide (CAS 54824-20-3), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of Pinafide
Property Insights of Pinafide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinafide. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinafide. Following Lipinski's Rule of Five, Pinafide has 0 hydrogen bond donor(s) and 5 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 Pinafide?
The CAS number of Pinafide is 54824-20-3.
What is the molecular formula of Pinafide?
The molecular formula of Pinafide is C18H17N3O4.
What is the molecular weight of Pinafide?
The molecular weight of Pinafide is 339.12 g/mol.
Where can I buy Pinafide?
You can request a quote for Pinafide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinafide?
Yes, KEHONG BIO provides custom synthesis services for Pinafide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.