ChemDiv2_004790
TL;DR: ChemDiv2_004790 (CAS 867137-27-7) is a chemical compound with molecular formula C26H26FN3O5 and molecular weight 479.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4'E)-1-ethyl-4'-[(4-fluorophenyl)-hydroxymethylidene]-1'-(2-morpholin-4-ylethyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
Also Known As: ChemDiv2_004790, IDI1_003505, (4'E)-1-ethyl-4'-[(4-fluorophenyl)-hydroxymethylidene]-1'-(2-morpholin-4-ylethyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione, 1-ethyl-3'-(4-fluorobenzoyl)-4'-hydroxy-1'-[2-(morpholin-4-yl)ethyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione, 1-ethyl-3'-[(4-fluorophenyl)carbonyl]-4'-hydroxy-1'-[2-(morpholin-4-yl)ethyl]spiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
| Molecular Formula | C26H26FN3O5 |
|---|---|
| Molecular Weight | 479.19 g/mol |
| LogP | 2.1003 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.18564 |
| Heavy Atoms | 35 |
| Complexity | 1221.748 |
Chemical Identifiers
| CAS Number | 867137-27-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3(C1=O)/C(=C(/C4=CC=C(C=C4)F)\O)/C(=O)C(=O)N3CCN5CCOCC5 |
Product Overview
ChemDiv2_004790 (CAS 867137-27-7), with molecular formula C26H26FN3O5 and molecular weight 479.19 g/mol. IUPAC: (4'E)-1-ethyl-4'-[(4-fluorophenyl)-hydroxymethylidene]-1'-(2-morpholin-4-ylethyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione.
Chemical Property Profile of ChemDiv2_004790
Property Insights of ChemDiv2_004790
The XLogP value of 2.1003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004790. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004790. Following Lipinski's Rule of Five, ChemDiv2_004790 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 ChemDiv2_004790?
The CAS number of ChemDiv2_004790 is 867137-27-7.
What is the molecular formula of ChemDiv2_004790?
The molecular formula of ChemDiv2_004790 is C26H26FN3O5.
What is the molecular weight of ChemDiv2_004790?
The molecular weight of ChemDiv2_004790 is 479.19 g/mol.
Where can I buy ChemDiv2_004790?
You can request a quote for ChemDiv2_004790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004790?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.