RefChem:513228
TL;DR: RefChem:513228 (CAS 618076-01-0) is a chemical compound with molecular formula C24H21FN4O5 and molecular weight 464.15 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-(3-imidazol-1-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 1-(3-(1H-Imidazol-1-yl)propyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, 4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(3-FLUORO-4-METHYLBENZOYL)-3-HYDROXY-1-(3-(1H-IMIDAZOL-1-YL)PROPYL)-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-799-2, RefChem:513228
| Molecular Formula | C24H21FN4O5 |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 3.75082 |
| Topological Polar Surface Area | 118.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.1496 |
| Heavy Atoms | 34 |
| Complexity | 1285.2019 |
Chemical Identifiers
| CAS Number | 618076-01-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-])/O)F |
Product Overview
RefChem:513228 (CAS 618076-01-0), with molecular formula C24H21FN4O5 and molecular weight 464.15 g/mol. IUPAC: (4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513228
Property Insights of RefChem:513228
The XLogP value of 3.75082 indicates that RefChem:513228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.57 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513228. Following Lipinski's Rule of Five, RefChem:513228 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:513228?
The CAS number of RefChem:513228 is 618076-01-0.
What is the molecular formula of RefChem:513228?
The molecular formula of RefChem:513228 is C24H21FN4O5.
What is the molecular weight of RefChem:513228?
The molecular weight of RefChem:513228 is 464.15 g/mol.
Where can I buy RefChem:513228?
You can request a quote for RefChem:513228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513228?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.