AF-399/40992073
TL;DR: AF-399/40992073 (CAS 371234-46-7) is a chemical compound with molecular formula C25H21FN2O6S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40992073, methyl 2-(3-(4-ethoxybenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-(4-ethoxybenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H21FN2O6S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 4.40222 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.11044 |
| Heavy Atoms | 35 |
| Complexity | 1330.9918 |
Chemical Identifiers
| CAS Number | 371234-46-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)F)/O |
Product Overview
AF-399/40992073 (CAS 371234-46-7), with molecular formula C25H21FN2O6S and molecular weight 496.11 g/mol. IUPAC: methyl 2-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40992073
Property Insights of AF-399/40992073
The XLogP value of 4.40222 indicates that AF-399/40992073 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-399/40992073. Following Lipinski's Rule of Five, AF-399/40992073 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-399/40992073?
The CAS number of AF-399/40992073 is 371234-46-7.
What is the molecular formula of AF-399/40992073?
The molecular formula of AF-399/40992073 is C25H21FN2O6S.
What is the molecular weight of AF-399/40992073?
The molecular weight of AF-399/40992073 is 496.11 g/mol.
Where can I buy AF-399/40992073?
You can request a quote for AF-399/40992073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40992073?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40992073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.