AF-399/42019572
TL;DR: AF-399/42019572 (CAS 618878-56-1) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42019572, (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione, 1-(3-(1H-imidazol-1-yl)propyl)-3-hydroxy-4-(4-methoxybenzoyl)-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one, 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-5-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C23H22N4O4 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 2.7987 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1641 |
| Heavy Atoms | 31 |
| Complexity | 1092.3748 |
Chemical Identifiers
| CAS Number | 618878-56-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=N4)/O |
Product Overview
AF-399/42019572 (CAS 618878-56-1), with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42019572
Property Insights of AF-399/42019572
The XLogP value of 2.7987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42019572. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42019572. Following Lipinski's Rule of Five, AF-399/42019572 has 1 hydrogen bond donor(s) and 6 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-399/42019572?
The CAS number of AF-399/42019572 is 618878-56-1.
What is the molecular formula of AF-399/42019572?
The molecular formula of AF-399/42019572 is C23H22N4O4.
What is the molecular weight of AF-399/42019572?
The molecular weight of AF-399/42019572 is 418.16 g/mol.
Where can I buy AF-399/42019572?
You can request a quote for AF-399/42019572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42019572?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42019572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.