RefChem:593742
TL;DR: RefChem:593742 (CAS 617698-01-8) is a chemical compound with molecular formula C26H23FN2O5S and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: SALOR-INT L419400-1EA, Ethyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 638-532-6, Ethyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-D ihydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-[3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-2-(4-METHYLPHENYL)-5-OXO-2,5-D IHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C26H23FN2O5S |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 5.01046 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.13116 |
| Heavy Atoms | 35 |
| Complexity | 1376.879 |
Chemical Identifiers
| CAS Number | 617698-01-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C2=O)C4=CC=C(C=C4)C)C |
Product Overview
RefChem:593742 (CAS 617698-01-8), with molecular formula C26H23FN2O5S and molecular weight 494.13 g/mol. IUPAC: ethyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:593742
Property Insights of RefChem:593742
The XLogP value of 5.01046 indicates that RefChem:593742 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 RefChem:593742. Following Lipinski's Rule of Five, RefChem:593742 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:593742?
The CAS number of RefChem:593742 is 617698-01-8.
What is the molecular formula of RefChem:593742?
The molecular formula of RefChem:593742 is C26H23FN2O5S.
What is the molecular weight of RefChem:593742?
The molecular weight of RefChem:593742 is 494.13 g/mol.
Where can I buy RefChem:593742?
You can request a quote for RefChem:593742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:593742?
Yes, KEHONG BIO provides custom synthesis services for RefChem:593742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.