RefChem:593639
TL;DR: RefChem:593639 (CAS 617698-00-7) is a chemical compound with molecular formula C25H19Cl2FN2O5S and molecular weight 548.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(3,4-dichlorophenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(2-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 638-533-1, ETHYL 2-(2-(3,4-DICHLOROPHENYL)-3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-[2-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, RefChem:593639
| Molecular Formula | C25H19Cl2FN2O5S |
|---|---|
| Molecular Weight | 548.04 g/mol |
| LogP | 6.00884 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.0376 |
| Heavy Atoms | 36 |
| Complexity | 1452.1964 |
Chemical Identifiers
| CAS Number | 617698-00-7 |
|---|---|
| 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)Cl)Cl)C |
Product Overview
RefChem:593639 (CAS 617698-00-7), with molecular formula C25H19Cl2FN2O5S and molecular weight 548.04 g/mol. IUPAC: ethyl 2-[(3E)-2-(3,4-dichlorophenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:593639
Property Insights of RefChem:593639
The XLogP value of 6.00884 indicates that RefChem:593639 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:593639. Following Lipinski's Rule of Five, RefChem:593639 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:593639?
The CAS number of RefChem:593639 is 617698-00-7.
What is the molecular formula of RefChem:593639?
The molecular formula of RefChem:593639 is C25H19Cl2FN2O5S.
What is the molecular weight of RefChem:593639?
The molecular weight of RefChem:593639 is 548.04 g/mol.
Where can I buy RefChem:593639?
You can request a quote for RefChem:593639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:593639?
Yes, KEHONG BIO provides custom synthesis services for RefChem:593639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.