AF-399/42019559
TL;DR: AF-399/42019559 (CAS 618878-43-6) is a chemical compound with molecular formula C21H22FN3O3 and molecular weight 383.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42019559, 1-[3-(dimethylamino)propyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
| Molecular Formula | C21H22FN3O3 |
|---|---|
| Molecular Weight | 383.16 g/mol |
| LogP | 2.5941 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.16452 |
| Heavy Atoms | 28 |
| Complexity | 894.87164 |
Chemical Identifiers
| CAS Number | 618878-43-6 |
|---|---|
| SMILES | CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)F)O)C(=O)C1=O)C3=CC=CC=N3 |
Product Overview
AF-399/42019559 (CAS 618878-43-6), with molecular formula C21H22FN3O3 and molecular weight 383.16 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42019559
Property Insights of AF-399/42019559
The XLogP value of 2.5941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42019559. The TPSA of 73.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42019559. Following Lipinski's Rule of Five, AF-399/42019559 has 1 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 AF-399/42019559?
The CAS number of AF-399/42019559 is 618878-43-6.
What is the molecular formula of AF-399/42019559?
The molecular formula of AF-399/42019559 is C21H22FN3O3.
What is the molecular weight of AF-399/42019559?
The molecular weight of AF-399/42019559 is 383.16 g/mol.
Where can I buy AF-399/42019559?
You can request a quote for AF-399/42019559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42019559?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42019559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.