1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-
TL;DR: 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- (CAS 104309-89-9) is a chemical compound with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-piperazin-1-ylnaphthalene-1,4-dione
Also Known As: BAS 12493000, 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-, 3-chloro-2-piperazinyl-1,4-naphthoquinone, 2-chloro-3-piperazin-1-ylnaphthalene-1,4-dione, 2-chloro-3-(piperazin-1-yl)naphthalene-1,4-dione
| Molecular Formula | C14H13ClN2O2 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.06656 |
| Heavy Atoms | 19 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 104309-89-9 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | SMFSTOPZEJJSSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- (CAS 104309-89-9), with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol. IUPAC: 2-chloro-3-piperazin-1-ylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-
Property Insights of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-. With a topological polar surface area (TPSA) of 49.4 Ų, 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- has 1 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 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-?
The CAS number of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- is 104309-89-9.
What is the molecular formula of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-?
The molecular formula of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- is C14H13ClN2O2.
What is the molecular weight of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-?
The molecular weight of 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- is 276.07 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-?
You can request a quote for 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.