AF-399/41115303
TL;DR: AF-399/41115303 (CAS 385392-98-3) is a chemical compound with molecular formula C22H16N2O5S and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(6-methyl-2-pyridinyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/41115303, (4E)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(6-methylpyridin-2-yl)pyrrolidine-2,3-dione, 2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(6-methylpyridin-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(6-methyl-2-pyridinyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-3-hydroxy-1-(6-methyl(2-pyridyl))-4-(2-th ienylcarbonyl)-3-pyrrolin-2-one
| Molecular Formula | C22H16N2O5S |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 3.96312 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.078 |
| Heavy Atoms | 30 |
| Complexity | 1201.9968 |
Chemical Identifiers
| CAS Number | 385392-98-3 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5 |
Product Overview
AF-399/41115303 (CAS 385392-98-3), with molecular formula C22H16N2O5S and molecular weight 420.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(6-methyl-2-pyridinyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/41115303
Property Insights of AF-399/41115303
The XLogP value of 3.96312 indicates that AF-399/41115303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115303. Following Lipinski's Rule of Five, AF-399/41115303 has 1 hydrogen bond donor(s) and 7 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-399/41115303?
The CAS number of AF-399/41115303 is 385392-98-3.
What is the molecular formula of AF-399/41115303?
The molecular formula of AF-399/41115303 is C22H16N2O5S.
What is the molecular weight of AF-399/41115303?
The molecular weight of AF-399/41115303 is 420.08 g/mol.
Where can I buy AF-399/41115303?
You can request a quote for AF-399/41115303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115303?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.