1,4-Naphthalenedione, 5-(acetyloxy)-
TL;DR: 1,4-Naphthalenedione, 5-(acetyloxy)- (CAS 5196-28-1) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,8-dioxonaphthalen-1-yl) acetate
Also Known As: Acetyljuglone, Cyto8B4, 5-Acetoxynaphthochinon, 1,4-Naphthalenedione, 5-(acetyloxy)-, Maybridge3_005537
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5196-28-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C=CC2=O |
| InChIKey | BSKQCCPLVNJCQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 5-(acetyloxy)- (CAS 5196-28-1), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: (5,8-dioxonaphthalen-1-yl) acetate.
Chemical Property Profile of 1,4-Naphthalenedione, 5-(acetyloxy)-
Property Insights of 1,4-Naphthalenedione, 5-(acetyloxy)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 5-(acetyloxy)-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 5-(acetyloxy)-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 5-(acetyloxy)- 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 1,4-Naphthalenedione, 5-(acetyloxy)-?
The CAS number of 1,4-Naphthalenedione, 5-(acetyloxy)- is 5196-28-1.
What is the molecular formula of 1,4-Naphthalenedione, 5-(acetyloxy)-?
The molecular formula of 1,4-Naphthalenedione, 5-(acetyloxy)- is C12H8O4.
What is the molecular weight of 1,4-Naphthalenedione, 5-(acetyloxy)-?
The molecular weight of 1,4-Naphthalenedione, 5-(acetyloxy)- is 216.04 g/mol.
Where can I buy 1,4-Naphthalenedione, 5-(acetyloxy)-?
You can request a quote for 1,4-Naphthalenedione, 5-(acetyloxy)- 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, 5-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 5-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.