Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester
TL;DR: Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester (CAS 116752-29-5) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-5,8-dioxonaphthalen-1-yl) acetate
Also Known As: Acetyl Plumbagin, 2-Methyl-5-acetoxy-1,4-naphthoquinone, 5-O-acetyl 2-methyl 1,4 naphthoquinone, (6-methyl-5,8-dioxo-1-naphthyl) acetate, (6-methyl-5,8-dioxonaphthalen-1-yl) acetate
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.9372 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 566.7822 |
Chemical Identifiers
| CAS Number | 116752-29-5 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C1=O)C=CC=C2OC(=O)C |
Product Overview
Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester (CAS 116752-29-5), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: (6-methyl-5,8-dioxonaphthalen-1-yl) acetate.
Chemical Property Profile of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester
Property Insights of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester
The XLogP value of 1.9372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester. Following Lipinski's Rule of Five, Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester has 0 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 Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester?
The CAS number of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester is 116752-29-5.
What is the molecular formula of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester?
The molecular formula of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester is C13H10O4.
What is the molecular weight of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester?
The molecular weight of Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester is 230.06 g/mol.
Where can I buy Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester?
You can request a quote for Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 6-methyl-5,8-dioxo-5,8-dihydro-naphthalen-1-YL ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.