![3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione structure](/static/products/2936/29366-43-6.webp)
3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione
TL;DR: 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione (CAS 29366-43-6) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-but-1-enyl-4-hydroxynaphthalene-1,2-dione
Also Known As: 3-but-1-enyl-4-hydroxynaphthalene-1,2-dione, 2-hydroxy-3-(1-n-butenyl)-1,4-naphthoquinone, 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione, 1,4-Naphthalenedione,2-(1-buten-1-yl)-3-hydroxy-, 3-(but-1-en-1-yl)-4-hydroxynaphthalene-1,2-dione
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 29366-43-6 |
|---|---|
| SMILES | CCC=CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | OCJSSYHNQRKXTO-UHFFFAOYSA-N |
Product Overview
3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione (CAS 29366-43-6), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 3-but-1-enyl-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione
Property Insights of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione has 1 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 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione?
The CAS number of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione is 29366-43-6.
What is the molecular formula of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione?
The molecular formula of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione is C14H12O3.
What is the molecular weight of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione?
The molecular weight of 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione is 228.08 g/mol.
Where can I buy 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione?
You can request a quote for 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.