RefChem:813196
TL;DR: RefChem:813196 (CAS 618072-64-3) is a chemical compound with molecular formula C28H27FN2O6S and molecular weight 538.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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: Methyl 2-(2-(4-butoxyphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 637-801-5, METHYL 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, Methyl 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:813196
| Molecular Formula | C28H27FN2O6S |
|---|---|
| Molecular Weight | 538.16 g/mol |
| LogP | 5.49084 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1574 |
| Heavy Atoms | 38 |
| Complexity | 1429.5956 |
Chemical Identifiers
| CAS Number | 618072-64-3 |
|---|---|
| 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)OC)C |
Product Overview
RefChem:813196 (CAS 618072-64-3), with molecular formula C28H27FN2O6S and molecular weight 538.16 g/mol. IUPAC: methyl 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:813196
Property Insights of RefChem:813196
The XLogP value of 5.49084 indicates that RefChem:813196 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:813196. Following Lipinski's Rule of Five, RefChem:813196 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:813196?
The CAS number of RefChem:813196 is 618072-64-3.
What is the molecular formula of RefChem:813196?
The molecular formula of RefChem:813196 is C28H27FN2O6S.
What is the molecular weight of RefChem:813196?
The molecular weight of RefChem:813196 is 538.16 g/mol.
Where can I buy RefChem:813196?
You can request a quote for RefChem:813196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813196?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.