AF-399/42018123
TL;DR: AF-399/42018123 (CAS 618361-18-5) is a chemical compound with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42018123, (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione, 3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(3-pyridinylmethyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C24H20N2O4S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 4.0884 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.11438 |
| Heavy Atoms | 31 |
| Complexity | 1187.5531 |
Chemical Identifiers
| CAS Number | 618361-18-5 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5)/O |
Product Overview
AF-399/42018123 (CAS 618361-18-5), with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42018123
Property Insights of AF-399/42018123
The XLogP value of 4.0884 indicates that AF-399/42018123 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-399/42018123. Following Lipinski's Rule of Five, AF-399/42018123 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-399/42018123?
The CAS number of AF-399/42018123 is 618361-18-5.
What is the molecular formula of AF-399/42018123?
The molecular formula of AF-399/42018123 is C24H20N2O4S.
What is the molecular weight of AF-399/42018123?
The molecular weight of AF-399/42018123 is 432.11 g/mol.
Where can I buy AF-399/42018123?
You can request a quote for AF-399/42018123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42018123?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42018123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.