6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione
TL;DR: 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione (CAS 13378-89-7) is a chemical compound with molecular formula C12H8O6 and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-4,5,7-trihydroxynaphthalene-1,2-dione
Also Known As: 6-acetyl-4,5,7-trihydroxynaphthalene-1,2-dione, 2,7-Dihydroxy-6-acetyljuglone, 6-Acetyl-2,5,7-trihydroxy-1,4-naphthoquinone, 6-Acetyl-2,5,7-trihydroxynaphthoquinone, 6-Acetyl-2,5,7-trihydroxynaphthoquinone #
| Molecular Formula | C12H8O6 |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.03209 |
| Heavy Atoms | 18 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 13378-89-7 |
|---|---|
| SMILES | CC(=O)C1=C(C=C2C(=C1O)C(=CC(=O)C2=O)O)O |
| InChIKey | ROPCNKBGXFCXQJ-UHFFFAOYSA-N |
Product Overview
6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione (CAS 13378-89-7), with molecular formula C12H8O6 and molecular weight 248.03 g/mol. IUPAC: 6-acetyl-4,5,7-trihydroxynaphthalene-1,2-dione.
Chemical Property Profile of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione
Property Insights of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione. Following Lipinski's Rule of Five, 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione has 3 hydrogen bond donor(s) and 6 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 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione?
The CAS number of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione is 13378-89-7.
What is the molecular formula of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione?
The molecular formula of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione is C12H8O6.
What is the molecular weight of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione?
The molecular weight of 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione is 248.03 g/mol.
Where can I buy 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione?
You can request a quote for 6-Acetyl-4,5,7-trihydroxynaphthalene-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 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-4,5,7-trihydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.