RefChem:813199
TL;DR: RefChem:813199 (CAS 617698-28-9) 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.
methyl 2-[(3E)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(2-(4-ethylphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 638-460-5, Methyl 2-(2-(4-ethylphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-DI hydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate, METHYL 2-[2-(4-ETHYLPHENYL)-3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-5-OXO-2,5-DI HYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:813199
| Molecular Formula | C26H23FN2O5S |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 4.87434 |
| 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 | 617698-28-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C |
Product Overview
RefChem:813199 (CAS 617698-28-9), with molecular formula C26H23FN2O5S and molecular weight 494.13 g/mol. IUPAC: methyl 2-[(3E)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:813199
Property Insights of RefChem:813199
The XLogP value of 4.87434 indicates that RefChem:813199 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:813199. Following Lipinski's Rule of Five, RefChem:813199 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 RefChem:813199?
The CAS number of RefChem:813199 is 617698-28-9.
What is the molecular formula of RefChem:813199?
The molecular formula of RefChem:813199 is C26H23FN2O5S.
What is the molecular weight of RefChem:813199?
The molecular weight of RefChem:813199 is 494.13 g/mol.
Where can I buy RefChem:813199?
You can request a quote for RefChem:813199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813199?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.