AF-399/40991924
TL;DR: AF-399/40991924 (CAS 371124-65-1) is a chemical compound with molecular formula C26H24N2O5S and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40991924, methyl 2-(3-benzoyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-benzoyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{(3E)-3-[hydroxy(phenyl)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H24N2O5S |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 4.98782 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1406 |
| Heavy Atoms | 34 |
| Complexity | 1292.485 |
Chemical Identifiers
| CAS Number | 371124-65-1 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)C)C(=O)OC |
Product Overview
AF-399/40991924 (CAS 371124-65-1), with molecular formula C26H24N2O5S and molecular weight 476.14 g/mol. IUPAC: methyl 2-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40991924
Property Insights of AF-399/40991924
The XLogP value of 4.98782 indicates that AF-399/40991924 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991924. Following Lipinski's Rule of Five, AF-399/40991924 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-399/40991924?
The CAS number of AF-399/40991924 is 371124-65-1.
What is the molecular formula of AF-399/40991924?
The molecular formula of AF-399/40991924 is C26H24N2O5S.
What is the molecular weight of AF-399/40991924?
The molecular weight of AF-399/40991924 is 476.14 g/mol.
Where can I buy AF-399/40991924?
You can request a quote for AF-399/40991924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991924?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.