RefChem:554799
TL;DR: RefChem:554799 (CAS 618072-67-6) is a chemical compound with molecular formula C27H23FN2O5S and molecular weight 506.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 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: Allyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 637-871-7, ALLYL 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, Allyl 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, RefChem:554799
| Molecular Formula | C27H23FN2O5S |
|---|---|
| Molecular Weight | 506.13 g/mol |
| LogP | 5.17656 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.13116 |
| Heavy Atoms | 36 |
| Complexity | 1424.4158 |
Chemical Identifiers
| CAS Number | 618072-67-6 |
|---|---|
| SMILES | CC1=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)C |
Product Overview
RefChem:554799 (CAS 618072-67-6), with molecular formula C27H23FN2O5S and molecular weight 506.13 g/mol. IUPAC: prop-2-enyl 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:554799
Property Insights of RefChem:554799
The XLogP value of 5.17656 indicates that RefChem:554799 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:554799. Following Lipinski's Rule of Five, RefChem:554799 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:554799?
The CAS number of RefChem:554799 is 618072-67-6.
What is the molecular formula of RefChem:554799?
The molecular formula of RefChem:554799 is C27H23FN2O5S.
What is the molecular weight of RefChem:554799?
The molecular weight of RefChem:554799 is 506.13 g/mol.
Where can I buy RefChem:554799?
You can request a quote for RefChem:554799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554799?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.