RefChem:421255
TL;DR: RefChem:421255 (CAS 618074-79-6) is a chemical compound with molecular formula C22H22FN3O6 and molecular weight 443.15 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-methoxyphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 1-(2-(Dimethylamino)ethyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, 1-(2-(DIMETHYLAMINO)ETHYL)-4-(3-FLUORO-4-METHOXYBENZOYL)-3-HYDROXY-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 1-[2-(DIMETHYLAMINO)ETHYL]-4-(3-FLUORO-4-METHOXYBENZOYL)-3-HYDROXY-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-670-0, RefChem:421255
| Molecular Formula | C22H22FN3O6 |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 2.7258 |
| Topological Polar Surface Area | 113.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.14926 |
| Heavy Atoms | 32 |
| Complexity | 1097.3451 |
Chemical Identifiers
| CAS Number | 618074-79-6 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)F)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
RefChem:421255 (CAS 618074-79-6), with molecular formula C22H22FN3O6 and molecular weight 443.15 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:421255
Property Insights of RefChem:421255
The XLogP value of 2.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:421255. The TPSA of 113.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:421255. Following Lipinski's Rule of Five, RefChem:421255 has 1 hydrogen bond donor(s) and 7 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:421255?
The CAS number of RefChem:421255 is 618074-79-6.
What is the molecular formula of RefChem:421255?
The molecular formula of RefChem:421255 is C22H22FN3O6.
What is the molecular weight of RefChem:421255?
The molecular weight of RefChem:421255 is 443.15 g/mol.
Where can I buy RefChem:421255?
You can request a quote for RefChem:421255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:421255?
Yes, KEHONG BIO provides custom synthesis services for RefChem:421255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.