RefChem:513227
TL;DR: RefChem:513227 (CAS 618074-14-9) is a chemical compound with molecular formula C21H19FN2O6 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(3-FLUORO-4-METHYLBENZOYL)-3-HYDROXY-1-(2-METHOXYETHYL)-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 4-(3-Fluoro-4-methylbenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, 645-653-8, RefChem:513227
| Molecular Formula | C21H19FN2O6 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.11042 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1227 |
| Heavy Atoms | 30 |
| Complexity | 1047.9622 |
Chemical Identifiers
| CAS Number | 618074-14-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CC=C(C=C3)[N+](=O)[O-])/O)F |
Product Overview
RefChem:513227 (CAS 618074-14-9), with molecular formula C21H19FN2O6 and molecular weight 414.12 g/mol. IUPAC: (4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513227
Property Insights of RefChem:513227
The XLogP value of 3.11042 indicates that RefChem:513227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513227. Following Lipinski's Rule of Five, RefChem:513227 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:513227?
The CAS number of RefChem:513227 is 618074-14-9.
What is the molecular formula of RefChem:513227?
The molecular formula of RefChem:513227 is C21H19FN2O6.
What is the molecular weight of RefChem:513227?
The molecular weight of RefChem:513227 is 414.12 g/mol.
Where can I buy RefChem:513227?
You can request a quote for RefChem:513227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513227?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.