AF-399/42100201
TL;DR: AF-399/42100201 (CAS 384377-67-7) is a chemical compound with molecular formula C21H13F2N3O3 and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42100201, 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(2-pyrimidinyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione, 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, (E)-(4-fluorophenyl)[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
| Molecular Formula | C21H13F2N3O3 |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 3.3811 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.0925 |
| Heavy Atoms | 29 |
| Complexity | 1131.423 |
Chemical Identifiers
| CAS Number | 384377-67-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=NC=CC=N4)F |
Product Overview
AF-399/42100201 (CAS 384377-67-7), with molecular formula C21H13F2N3O3 and molecular weight 393.09 g/mol. IUPAC: (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100201
Property Insights of AF-399/42100201
The XLogP value of 3.3811 indicates that AF-399/42100201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100201. Following Lipinski's Rule of Five, AF-399/42100201 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-399/42100201?
The CAS number of AF-399/42100201 is 384377-67-7.
What is the molecular formula of AF-399/42100201?
The molecular formula of AF-399/42100201 is C21H13F2N3O3.
What is the molecular weight of AF-399/42100201?
The molecular weight of AF-399/42100201 is 393.09 g/mol.
Where can I buy AF-399/42100201?
You can request a quote for AF-399/42100201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100201?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.