1,4-Naphthalenedione, 2-(acetyloxy)-
TL;DR: 1,4-Naphthalenedione, 2-(acetyloxy)- (CAS 1785-65-5) 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.
(1,4-dioxonaphthalen-2-yl) acetate
Also Known As: 2-Acetoxy-1,4-naphthoquinone, acetyl-lawsone, 1, 2-(acetyloxy)-, (1,4-dioxonaphthalen-2-yl) acetate, 1, 2-hydroxy-, acetate
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.1 |
| 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 | 380.0 |
Chemical Identifiers
| CAS Number | 1785-65-5 |
|---|---|
| SMILES | CC(=O)OC1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | QHISPATYFAPAKC-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-(acetyloxy)- (CAS 1785-65-5), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: (1,4-dioxonaphthalen-2-yl) acetate.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(acetyloxy)-
Property Insights of 1,4-Naphthalenedione, 2-(acetyloxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-(acetyloxy)-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2-(acetyloxy)-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(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, 2-(acetyloxy)-?
The CAS number of 1,4-Naphthalenedione, 2-(acetyloxy)- is 1785-65-5.
What is the molecular formula of 1,4-Naphthalenedione, 2-(acetyloxy)-?
The molecular formula of 1,4-Naphthalenedione, 2-(acetyloxy)- is C12H8O4.
What is the molecular weight of 1,4-Naphthalenedione, 2-(acetyloxy)-?
The molecular weight of 1,4-Naphthalenedione, 2-(acetyloxy)- is 216.04 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(acetyloxy)-?
You can request a quote for 1,4-Naphthalenedione, 2-(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, 2-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.