RefChem:421256
TL;DR: RefChem:421256 (CAS 618075-75-5) is a chemical compound with molecular formula C22H22FN3O5 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 1-(2-(Dimethylamino)ethyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, 1-(2-(DIMETHYLAMINO)ETHYL)-4-(3-FLUORO-4-METHYLBENZOYL)-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 1-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 645-786-1, RefChem:421256
| Molecular Formula | C22H22FN3O5 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.02562 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.15436 |
| Heavy Atoms | 31 |
| Complexity | 1096.304 |
Chemical Identifiers
| CAS Number | 618075-75-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)[N+](=O)[O-])/O)F |
Product Overview
RefChem:421256 (CAS 618075-75-5), with molecular formula C22H22FN3O5 and molecular weight 427.15 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:421256
Property Insights of RefChem:421256
The XLogP value of 3.02562 indicates that RefChem:421256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:421256. Following Lipinski's Rule of Five, RefChem:421256 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:421256?
The CAS number of RefChem:421256 is 618075-75-5.
What is the molecular formula of RefChem:421256?
The molecular formula of RefChem:421256 is C22H22FN3O5.
What is the molecular weight of RefChem:421256?
The molecular weight of RefChem:421256 is 427.15 g/mol.
Where can I buy RefChem:421256?
You can request a quote for RefChem:421256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:421256?
Yes, KEHONG BIO provides custom synthesis services for RefChem:421256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.