RefChem:813194
TL;DR: RefChem:813194 (CAS 617698-03-0) is a chemical compound with molecular formula C24H18BrFN2O5S and molecular weight 544.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-2-(4-bromophenyl)-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-bromophenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 638-521-6, METHYL 2-(2-(4-BROMOPHENYL)-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-bromophenyl)-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:813194
| Molecular Formula | C24H18BrFN2O5S |
|---|---|
| Molecular Weight | 544.01 g/mol |
| LogP | 5.07444 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.0104 |
| Heavy Atoms | 34 |
| Complexity | 1366.1829 |
Chemical Identifiers
| CAS Number | 617698-03-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)Br)/O)F |
Product Overview
RefChem:813194 (CAS 617698-03-0), with molecular formula C24H18BrFN2O5S and molecular weight 544.01 g/mol. IUPAC: methyl 2-[(3E)-2-(4-bromophenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:813194
Property Insights of RefChem:813194
The XLogP value of 5.07444 indicates that RefChem:813194 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:813194. Following Lipinski's Rule of Five, RefChem:813194 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:813194?
The CAS number of RefChem:813194 is 617698-03-0.
What is the molecular formula of RefChem:813194?
The molecular formula of RefChem:813194 is C24H18BrFN2O5S.
What is the molecular weight of RefChem:813194?
The molecular weight of RefChem:813194 is 544.01 g/mol.
Where can I buy RefChem:813194?
You can request a quote for RefChem:813194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813194?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.