(5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate
TL;DR: (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate (CAS 54725-00-7) is a chemical compound with molecular formula C13H10O7 and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,8-dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate
Also Known As: (5,8-dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate, 2-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione, 2- -5,8-dihydroxy-7-methoxynaphthalene-1,4-dione, 2-(Acetyloxy)-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione, 1,4-Naphthalenedione, 2-(acetyloxy)-5,8-dihydroxy-7-methoxy-
| Molecular Formula | C13H10O7 |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.04266 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 54725-00-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=O)C2=C(C1=O)C(=C(C=C2O)OC)O |
| InChIKey | WKDCTCOODWUCNC-UHFFFAOYSA-N |
Product Overview
(5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate (CAS 54725-00-7), with molecular formula C13H10O7 and molecular weight 278.04 g/mol. IUPAC: (5,8-dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate.
Chemical Property Profile of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate
Property Insights of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate. Following Lipinski's Rule of Five, (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate has 2 hydrogen bond donor(s) and 7 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 (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate?
The CAS number of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate is 54725-00-7.
What is the molecular formula of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate?
The molecular formula of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate is C13H10O7.
What is the molecular weight of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate?
The molecular weight of (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate is 278.04 g/mol.
Where can I buy (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate?
You can request a quote for (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (5,8-Dihydroxy-7-methoxy-1,4-dioxonaphthalen-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.