IFLab1_004729
TL;DR: IFLab1_004729 (CAS 355115-32-1) is a chemical compound with molecular formula C21H20F3N3O3 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-morpholin-4-ylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Also Known As: IFLab1_004729, IDI1_010484, BAS 02916391, 3-{[4-(morpholin-4-yl)phenyl]amino}-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione, 3-(4-morpholin-4-ylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
| Molecular Formula | C21H20F3N3O3 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 3.286 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1457 |
| Heavy Atoms | 30 |
| Complexity | 940.50305 |
Chemical Identifiers
| CAS Number | 355115-32-1 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
IFLab1_004729 (CAS 355115-32-1), with molecular formula C21H20F3N3O3 and molecular weight 419.15 g/mol. IUPAC: 3-(4-morpholin-4-ylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
Chemical Property Profile of IFLab1_004729
Property Insights of IFLab1_004729
The XLogP value of 3.286 indicates that IFLab1_004729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004729. Following Lipinski's Rule of Five, IFLab1_004729 has 1 hydrogen bond donor(s) and 5 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 IFLab1_004729?
The CAS number of IFLab1_004729 is 355115-32-1.
What is the molecular formula of IFLab1_004729?
The molecular formula of IFLab1_004729 is C21H20F3N3O3.
What is the molecular weight of IFLab1_004729?
The molecular weight of IFLab1_004729 is 419.15 g/mol.
Where can I buy IFLab1_004729?
You can request a quote for IFLab1_004729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004729?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.