AF-399/40991956
TL;DR: AF-399/40991956 (CAS 433261-70-2) is a chemical compound with molecular formula C26H22N2O6S and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40991956, allyl 2-[3-benzoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, allyl 2-(3-benzoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-[3-hydroxy-5-(2-methoxyphenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H22N2O6S |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 4.42922 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.11984 |
| Heavy Atoms | 35 |
| Complexity | 1344.8817 |
Chemical Identifiers
| CAS Number | 433261-70-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC=CC=C4OC)C(=O)OCC=C |
Product Overview
AF-399/40991956 (CAS 433261-70-2), with molecular formula C26H22N2O6S and molecular weight 490.12 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40991956
Property Insights of AF-399/40991956
The XLogP value of 4.42922 indicates that AF-399/40991956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991956. Following Lipinski's Rule of Five, AF-399/40991956 has 1 hydrogen bond donor(s) and 8 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-399/40991956?
The CAS number of AF-399/40991956 is 433261-70-2.
What is the molecular formula of AF-399/40991956?
The molecular formula of AF-399/40991956 is C26H22N2O6S.
What is the molecular weight of AF-399/40991956?
The molecular weight of AF-399/40991956 is 490.12 g/mol.
Where can I buy AF-399/40991956?
You can request a quote for AF-399/40991956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991956?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.