3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione
TL;DR: 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione (CAS 54725-01-8) 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.
3-acetyl-4,5,7-trihydroxynaphthalene-1,2-dione
Also Known As: 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione, 3-Acetyl-2,5,7-trihydroxynaphthoquinone, 3-Acetyl-2,5,7-trihydroxynaphthoquinone #, 1,4-Naphthalenedione, 3-acetyl-2,5,7-trihydroxy-, 3-acetyl-4,5,7-trihydroxynaphthalene-1,2-dione
| Molecular Formula | C12H8O6 |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 0.6 |
| 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 | 463.0 |
Chemical Identifiers
| CAS Number | 54725-01-8 |
|---|---|
| SMILES | CC(=O)C1=C(C2=C(C=C(C=C2O)O)C(=O)C1=O)O |
| InChIKey | WKDYYCBOHAAXFO-UHFFFAOYSA-N |
Product Overview
3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione (CAS 54725-01-8), with molecular formula C12H8O6 and molecular weight 248.03 g/mol. IUPAC: 3-acetyl-4,5,7-trihydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione
Property Insights of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione. Following Lipinski's Rule of Five, 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-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 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione?
The CAS number of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione is 54725-01-8.
What is the molecular formula of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione?
The molecular formula of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione is C12H8O6.
What is the molecular weight of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione?
The molecular weight of 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione is 248.03 g/mol.
Where can I buy 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione?
You can request a quote for 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-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-2,5,7-trihydroxynaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2,5,7-trihydroxynaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.