2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione
TL;DR: 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione (CAS 797799-86-1) is a chemical compound with molecular formula C25H22N2O2 and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)anthracene-1,4-dione
Also Known As: 2-(4-benzylpiperazin-1-yl)anthracene-1,4-dione
| Molecular Formula | C25H22N2O2 |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 3.9205 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.16812 |
| Heavy Atoms | 29 |
| Complexity | 1126.0283 |
Chemical Identifiers
| CAS Number | 797799-86-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)C4=CC5=CC=CC=C5C=C4C3=O |
Product Overview
2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione (CAS 797799-86-1), with molecular formula C25H22N2O2 and molecular weight 382.17 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)anthracene-1,4-dione.
Chemical Property Profile of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione
Property Insights of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione
The XLogP value of 3.9205 indicates that 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione 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 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione?
The CAS number of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione is 797799-86-1.
What is the molecular formula of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione?
The molecular formula of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione is C25H22N2O2.
What is the molecular weight of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione?
The molecular weight of 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione is 382.17 g/mol.
Where can I buy 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione?
You can request a quote for 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazin-1-yl)anthracene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.