AF-399/41703474
TL;DR: AF-399/41703474 (CAS 488744-96-3) is a chemical compound with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41703474, (4E)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, (E)-[4,5-dioxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-[3-methyl-4-(2-methylpropoxy)phenyl]methanolate, 3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C28H28N2O4 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.04672 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.2049 |
| Heavy Atoms | 34 |
| Complexity | 1219.6682 |
Chemical Identifiers
| CAS Number | 488744-96-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)/O)OCC(C)C |
Product Overview
AF-399/41703474 (CAS 488744-96-3), with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol. IUPAC: (4E)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41703474
Property Insights of AF-399/41703474
The XLogP value of 5.04672 indicates that AF-399/41703474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41703474. Following Lipinski's Rule of Five, AF-399/41703474 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41703474?
The CAS number of AF-399/41703474 is 488744-96-3.
What is the molecular formula of AF-399/41703474?
The molecular formula of AF-399/41703474 is C28H28N2O4.
What is the molecular weight of AF-399/41703474?
The molecular weight of AF-399/41703474 is 456.20 g/mol.
Where can I buy AF-399/41703474?
You can request a quote for AF-399/41703474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41703474?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41703474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.