AF-399/41503619
TL;DR: AF-399/41503619 (CAS 433326-05-7) is a chemical compound with molecular formula C29H30N2O4 and molecular weight 470.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41503619, (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, (E)-(4-butoxy-3-methylphenyl)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate, 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one, 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C29H30N2O4 |
|---|---|
| Molecular Weight | 470.22 g/mol |
| LogP | 5.49924 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.22055 |
| Heavy Atoms | 35 |
| Complexity | 1249.4332 |
Chemical Identifiers
| CAS Number | 433326-05-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C)/O)C |
Product Overview
AF-399/41503619 (CAS 433326-05-7), with molecular formula C29H30N2O4 and molecular weight 470.22 g/mol. IUPAC: (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41503619
Property Insights of AF-399/41503619
The XLogP value of 5.49924 indicates that AF-399/41503619 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-399/41503619. Following Lipinski's Rule of Five, AF-399/41503619 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-399/41503619?
The CAS number of AF-399/41503619 is 433326-05-7.
What is the molecular formula of AF-399/41503619?
The molecular formula of AF-399/41503619 is C29H30N2O4.
What is the molecular weight of AF-399/41503619?
The molecular weight of AF-399/41503619 is 470.22 g/mol.
Where can I buy AF-399/41503619?
You can request a quote for AF-399/41503619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41503619?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41503619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.