RefChem:593648
TL;DR: RefChem:593648 (CAS 618072-62-1) is a chemical compound with molecular formula C29H29FN2O6S and molecular weight 552.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(2-(4-butoxyphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 637-803-6, Ethyl 2-(2-(4-butoxyphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-D ihydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-[2-(4-BUTOXYPHENYL)-3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-5-OXO-2,5-D IHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:593648
| Molecular Formula | C29H29FN2O6S |
|---|---|
| Molecular Weight | 552.17 g/mol |
| LogP | 5.88094 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.17303 |
| Heavy Atoms | 39 |
| Complexity | 1446.4546 |
Chemical Identifiers
| CAS Number | 618072-62-1 |
|---|---|
| SMILES | CCCCOC1=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)OCC)C |
Product Overview
RefChem:593648 (CAS 618072-62-1), with molecular formula C29H29FN2O6S and molecular weight 552.17 g/mol. IUPAC: ethyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:593648
Property Insights of RefChem:593648
The XLogP value of 5.88094 indicates that RefChem:593648 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 RefChem:593648. Following Lipinski's Rule of Five, RefChem:593648 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:593648?
The CAS number of RefChem:593648 is 618072-62-1.
What is the molecular formula of RefChem:593648?
The molecular formula of RefChem:593648 is C29H29FN2O6S.
What is the molecular weight of RefChem:593648?
The molecular weight of RefChem:593648 is 552.17 g/mol.
Where can I buy RefChem:593648?
You can request a quote for RefChem:593648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:593648?
Yes, KEHONG BIO provides custom synthesis services for RefChem:593648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.