![1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione structure](/static/products/851/851613-18-8.png)
1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione
TL;DR: 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione (CAS 851613-18-8) is a chemical compound with molecular formula C25H28N4O4S and molecular weight 480.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
Also Known As: 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione, 3'-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
| Molecular Formula | C25H28N4O4S |
|---|---|
| Molecular Weight | 480.18 g/mol |
| LogP | 2.3458 |
| Topological Polar Surface Area | 90.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.18314 |
| Heavy Atoms | 34 |
| Complexity | 1222.4866 |
Chemical Identifiers
| CAS Number | 851613-18-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CN4CCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5 |
Product Overview
1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione (CAS 851613-18-8), with molecular formula C25H28N4O4S and molecular weight 480.18 g/mol. IUPAC: 3'-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
Chemical Property Profile of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione
Property Insights of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione
The XLogP value of 2.3458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione. The TPSA of 90.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione. Following Lipinski's Rule of Five, 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione 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 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione?
The CAS number of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione is 851613-18-8.
What is the molecular formula of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione?
The molecular formula of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione is C25H28N4O4S.
What is the molecular weight of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione?
The molecular weight of 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione is 480.18 g/mol.
Where can I buy 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione?
You can request a quote for 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.