7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone
TL;DR: 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone (CAS 80597-54-2) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetyl-4,8-dihydroxy-6-methylnaphthalene-1,2-dione
Also Known As: J1.639.136K, 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone, 2,8-Dihydroxy-6-methyl-7-acetyl-1,4-naphthoquinone, 7-Acetyl-2,8-dihydroxy-6-methyl-[1,4]naphthoquinone, 7-acetyl-2,8-dihydroxy-6-methyl-1 ,4-naphthoquinone
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 80597-54-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C(=O)C)O)C(=O)C(=O)C=C2O |
| InChIKey | DZTPJTCCIZKOFG-UHFFFAOYSA-N |
Product Overview
7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone (CAS 80597-54-2), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 7-acetyl-4,8-dihydroxy-6-methylnaphthalene-1,2-dione.
Chemical Property Profile of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone
Property Insights of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone. Following Lipinski's Rule of Five, 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone has 2 hydrogen bond donor(s) and 5 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 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone?
The CAS number of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone is 80597-54-2.
What is the molecular formula of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone?
The molecular formula of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone is C13H10O5.
What is the molecular weight of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone?
The molecular weight of 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone is 246.05 g/mol.
Where can I buy 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone?
You can request a quote for 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.