2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione
TL;DR: 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione (CAS 38528-40-4) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
Also Known As: 1,4-NAPHTHOQUINONE, 2-(3-(4-METHYL-1-PIPERAZINYL)PROPYLAMINO)-, 5-23-01-00325 (Beilstein Handbook Reference), 2-(3-(4-Methyl-1-piperazinyl)propylamino)-1,4-naphthoquinone, 2-[[3- propyl]amino]-1,4-naphthalenedione, 1,4-Naphthalenedione, 2-((3-(4-methyl-1-piperazinyl)propyl)amino)-
| Molecular Formula | C18H23N3O2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.17902 |
| Heavy Atoms | 23 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 38528-40-4 |
|---|---|
| SMILES | CN1CCN(CC1)CCCNC2=CC(=O)C3=CC=CC=C3C2=O |
| InChIKey | XVOWQUMVQNCAGK-UHFFFAOYSA-N |
Product Overview
2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione (CAS 38528-40-4), with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol. IUPAC: 2-[3-(4-methylpiperazin-1-yl)propylamino]naphthalene-1,4-dione.
Chemical Property Profile of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione
Property Insights of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione. With a topological polar surface area (TPSA) of 52.7 Ų, 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione 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 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione?
The CAS number of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione is 38528-40-4.
What is the molecular formula of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione?
The molecular formula of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione is C18H23N3O2.
What is the molecular weight of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione?
The molecular weight of 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione is 313.18 g/mol.
Where can I buy 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione?
You can request a quote for 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.