3-Acetyl-4-hydroxynaphthalene-1,2-dione
TL;DR: 3-Acetyl-4-hydroxynaphthalene-1,2-dione (CAS 22611-37-6) 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.
3-acetyl-4-hydroxynaphthalene-1,2-dione
Also Known As: 1, 2-acetyl-3-hydroxy-, 3-acetyl-4-hydroxynaphthalene-1,2-dione, 2-Acetyl-3-hydroxynaphthoquinone #, 2-Acetyl-3-hydroxy-1,4-naphthoquinone, 1,4-Naphthalenedione,2-acetyl-3-hydroxy-
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 22611-37-6 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | LJPUDGBLAWNMSA-UHFFFAOYSA-N |
Product Overview
3-Acetyl-4-hydroxynaphthalene-1,2-dione (CAS 22611-37-6), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: 3-acetyl-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-Acetyl-4-hydroxynaphthalene-1,2-dione
Property Insights of 3-Acetyl-4-hydroxynaphthalene-1,2-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-4-hydroxynaphthalene-1,2-dione. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-hydroxynaphthalene-1,2-dione. Following Lipinski's Rule of Five, 3-Acetyl-4-hydroxynaphthalene-1,2-dione 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 3-Acetyl-4-hydroxynaphthalene-1,2-dione?
The CAS number of 3-Acetyl-4-hydroxynaphthalene-1,2-dione is 22611-37-6.
What is the molecular formula of 3-Acetyl-4-hydroxynaphthalene-1,2-dione?
The molecular formula of 3-Acetyl-4-hydroxynaphthalene-1,2-dione is C12H8O4.
What is the molecular weight of 3-Acetyl-4-hydroxynaphthalene-1,2-dione?
The molecular weight of 3-Acetyl-4-hydroxynaphthalene-1,2-dione is 216.04 g/mol.
Where can I buy 3-Acetyl-4-hydroxynaphthalene-1,2-dione?
You can request a quote for 3-Acetyl-4-hydroxynaphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-4-hydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-hydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.