1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
TL;DR: 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione (CAS 313334-48-4) is a chemical compound with molecular formula C21H19N3O3 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Also Known As: 2,7-Diisopropyl-4-cycloheptenon, 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione, #151 (BMS-216), J2.186.110C, Piperazine, 1-benzoyl-4-(1H-indol-3-yloxoacetyl)-
| Molecular Formula | C21H19N3O3 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.14264 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 313334-48-4 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43 |
| InChIKey | GCCPYLCLTHXPRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione (CAS 313334-48-4), with molecular formula C21H19N3O3 and molecular weight 361.14 g/mol. IUPAC: 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione.
Chemical Property Profile of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Property Insights of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione. Following Lipinski's Rule of Five, 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione has 1 hydrogen bond donor(s) and 3 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-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
The CAS number of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione is 313334-48-4.
What is the molecular formula of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
The molecular formula of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione is C21H19N3O3.
What is the molecular weight of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
The molecular weight of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione is 361.14 g/mol.
Where can I buy 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
You can request a quote for 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-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-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.