1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-
TL;DR: 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- (CAS 55085-34-2) is a chemical compound with molecular formula C30H28N2O3 and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-2-phenylindene-1,3-dione
Also Known As: 5-23-02-00239 (Beilstein Handbook Reference), 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-, 2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-yn-1-yl}-2-phenyl-1h-indene-1,3(2h)-dione, 2-(4-(4-(o-Methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-1,3-indandione, 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-2-phenylindene-1,3-dione
| Molecular Formula | C30H28N2O3 |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.21 |
| Heavy Atoms | 35 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 55085-34-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC#CCC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 |
| InChIKey | VSSRHYYRJYZXOJ-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- (CAS 55085-34-2), with molecular formula C30H28N2O3 and molecular weight 464.21 g/mol. IUPAC: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-2-phenylindene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-
Property Insights of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-
The XLogP value of 5.0 indicates that 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- has 0 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 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-?
The CAS number of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- is 55085-34-2.
What is the molecular formula of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-?
The molecular formula of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- is C30H28N2O3.
What is the molecular weight of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-?
The molecular weight of 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- is 464.21 g/mol.
Where can I buy 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-?
You can request a quote for 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- 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-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.