1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-
TL;DR: 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- (CAS 5508-41-8) is a chemical compound with molecular formula C29H26N2O2 and molecular weight 434.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]indene-1,3-dione
Also Known As: 5-23-02-00239 (Beilstein Handbook Reference), 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-, 2-Phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-1,3-indandione, 2-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-yn-1-yl]-1h-indene-1,3(2h)-dione, 2-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]indene-1,3-dione
| Molecular Formula | C29H26N2O2 |
|---|---|
| Molecular Weight | 434.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.19943 |
| Heavy Atoms | 33 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 5508-41-8 |
|---|---|
| SMILES | C1CN(CCN1CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | ZXUBAZCNKGQDSN-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- (CAS 5508-41-8), with molecular formula C29H26N2O2 and molecular weight 434.20 g/mol. IUPAC: 2-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]indene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-
Property Insights of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-
The XLogP value of 5.0 indicates that 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- has 0 hydrogen bond donor(s) and 4 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 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-?
The CAS number of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- is 5508-41-8.
What is the molecular formula of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-?
The molecular formula of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- is C29H26N2O2.
What is the molecular weight of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-?
The molecular weight of 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- is 434.20 g/mol.
Where can I buy 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-?
You can request a quote for 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.