AF-399/41493087
TL;DR: AF-399/41493087 (CAS 433261-21-3) is a chemical compound with molecular formula C20H17BrClNO4 and molecular weight 449.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41493087, 5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione, 5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one, (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
| Molecular Formula | C20H17BrClNO4 |
|---|---|
| Molecular Weight | 449.00 g/mol |
| LogP | 4.1706 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.00296 |
| Heavy Atoms | 27 |
| Complexity | 893.20264 |
Chemical Identifiers
| CAS Number | 433261-21-3 |
|---|---|
| SMILES | COCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=C(C=C3)Br |
Product Overview
AF-399/41493087 (CAS 433261-21-3), with molecular formula C20H17BrClNO4 and molecular weight 449.00 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41493087
Property Insights of AF-399/41493087
The XLogP value of 4.1706 indicates that AF-399/41493087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41493087. Following Lipinski's Rule of Five, AF-399/41493087 has 1 hydrogen bond donor(s) and 4 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-399/41493087?
The CAS number of AF-399/41493087 is 433261-21-3.
What is the molecular formula of AF-399/41493087?
The molecular formula of AF-399/41493087 is C20H17BrClNO4.
What is the molecular weight of AF-399/41493087?
The molecular weight of AF-399/41493087 is 449.00 g/mol.
Where can I buy AF-399/41493087?
You can request a quote for AF-399/41493087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41493087?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41493087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.