1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-
TL;DR: 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- (CAS 5809-25-6) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] acetate
Also Known As: lapachol acetate, 2-acetyllapachol, KST-1B5859, 1,4-naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-, J1.529.130C
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 5809-25-6 |
|---|---|
| SMILES | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C)C |
| InChIKey | HSWNEIKWRXLNCH-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- (CAS 5809-25-6), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: [3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] acetate.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-
Property Insights of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-
The XLogP value of 3.3 indicates that 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- 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 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-?
The CAS number of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- is 5809-25-6.
What is the molecular formula of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-?
The molecular formula of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- is C17H16O4.
What is the molecular weight of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-?
The molecular weight of 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- is 284.10 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-?
You can request a quote for 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.