AF-399/42020059
TL;DR: AF-399/42020059 (CAS 618875-38-0) is a chemical compound with molecular formula C25H23ClN2O4 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Also Known As: AF-399/42020059, (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 5-(4-tert-butylphenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 5-(4-(tert-butyl)phenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H23ClN2O4 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 5.56022 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.13464 |
| Heavy Atoms | 32 |
| Complexity | 1218.0779 |
Chemical Identifiers
| CAS Number | 618875-38-0 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AF-399/42020059 (CAS 618875-38-0), with molecular formula C25H23ClN2O4 and molecular weight 450.13 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42020059
Property Insights of AF-399/42020059
The XLogP value of 5.56022 indicates that AF-399/42020059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42020059. Following Lipinski's Rule of Five, AF-399/42020059 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-399/42020059?
The CAS number of AF-399/42020059 is 618875-38-0.
What is the molecular formula of AF-399/42020059?
The molecular formula of AF-399/42020059 is C25H23ClN2O4.
What is the molecular weight of AF-399/42020059?
The molecular weight of AF-399/42020059 is 450.13 g/mol.
Where can I buy AF-399/42020059?
You can request a quote for AF-399/42020059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42020059?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42020059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.