AF-399/40991632
TL;DR: AF-399/40991632 (CAS 371210-65-0) is a chemical compound with molecular formula C21H15FN2O5S2 and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40991632, methyl 2-[(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-(3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C21H15FN2O5S2 |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 4.06502 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04065 |
| Heavy Atoms | 31 |
| Complexity | 1215.1382 |
Chemical Identifiers
| CAS Number | 371210-65-0 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC=CS4)C(=O)OC |
Product Overview
AF-399/40991632 (CAS 371210-65-0), with molecular formula C21H15FN2O5S2 and molecular weight 458.04 g/mol. IUPAC: methyl 2-[(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40991632
Property Insights of AF-399/40991632
The XLogP value of 4.06502 indicates that AF-399/40991632 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-399/40991632. Following Lipinski's Rule of Five, AF-399/40991632 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-399/40991632?
The CAS number of AF-399/40991632 is 371210-65-0.
What is the molecular formula of AF-399/40991632?
The molecular formula of AF-399/40991632 is C21H15FN2O5S2.
What is the molecular weight of AF-399/40991632?
The molecular weight of AF-399/40991632 is 458.04 g/mol.
Where can I buy AF-399/40991632?
You can request a quote for AF-399/40991632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991632?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.