AF-399/42019763
TL;DR: AF-399/42019763 (CAS 618876-80-5) is a chemical compound with molecular formula C28H28N2O5 and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Also Known As: AF-399/42019763, (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 4-[4-(allyloxy)benzoyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-tert-butylphenyl)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 4-(4-(allyloxy)benzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C28H28N2O5 |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 5.47162 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.19983 |
| Heavy Atoms | 35 |
| Complexity | 1294.3656 |
Chemical Identifiers
| CAS Number | 618876-80-5 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AF-399/42019763 (CAS 618876-80-5), with molecular formula C28H28N2O5 and molecular weight 472.20 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42019763
Property Insights of AF-399/42019763
The XLogP value of 5.47162 indicates that AF-399/42019763 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42019763. Following Lipinski's Rule of Five, AF-399/42019763 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42019763?
The CAS number of AF-399/42019763 is 618876-80-5.
What is the molecular formula of AF-399/42019763?
The molecular formula of AF-399/42019763 is C28H28N2O5.
What is the molecular weight of AF-399/42019763?
The molecular weight of AF-399/42019763 is 472.20 g/mol.
Where can I buy AF-399/42019763?
You can request a quote for AF-399/42019763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42019763?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42019763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.