![2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione structure](/static/products/4257/42576-34-1.webp)
2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione
TL;DR: 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione (CAS 42576-34-1) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
Also Known As: prenyloxy-naphthoquinone, NCIOpen2_006139, 2-(3-methylbut-2-enoxy)naphthalene-1,4-dione, 2-prenyloxy-1,4-naphthoquinone, 2-[(3-methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 42576-34-1 |
|---|---|
| SMILES | CC(=CCOC1=CC(=O)C2=CC=CC=C2C1=O)C |
| InChIKey | XFZFQASPBARVAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione (CAS 42576-34-1), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 2-(3-methylbut-2-enoxy)naphthalene-1,4-dione.
Chemical Property Profile of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione
Property Insights of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione has 0 hydrogen bond donor(s) and 3 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 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione?
The CAS number of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione is 42576-34-1.
What is the molecular formula of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione?
The molecular formula of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione is C15H14O3.
What is the molecular weight of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione?
The molecular weight of 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione is 242.09 g/mol.
Where can I buy 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione?
You can request a quote for 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-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 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.