4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione
TL;DR: 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione (CAS 4042-39-1) 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.
4-hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione
Also Known As: NCIOpen2_005885, 4-hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione, 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-1-butenyl)-, 4-hydroxy-3-(3-methylbut-1-en-1-yl)naphthalene-1,2-dione, 4-hydroxy-3-[(E)-3-methylbut-1-enyl]naphthalene-1,2-dione
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 4042-39-1 |
|---|---|
| SMILES | CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | WRHNDZLGEDCHHD-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione (CAS 4042-39-1), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 4-hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione.
Chemical Property Profile of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione
Property Insights of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-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 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione?
The CAS number of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione is 4042-39-1.
What is the molecular formula of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione?
The molecular formula of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione is C15H14O3.
What is the molecular weight of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione?
The molecular weight of 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione is 242.09 g/mol.
Where can I buy 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione?
You can request a quote for 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-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 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.