4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
TL;DR: 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione (CAS 6509-66-6) 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-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
Also Known As: 4-hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione, 2-hydroxy-3-(1,1-dimethylallyl)-1,4-naphthoquinone, 1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy-, 3-(2-methyl-3-buten-2-yl)-2-hydroxy-1,4-naphthoquinone, 2-Hydroxy-3-(1,1-dimethylallyl)-1,4-naphthalenedione
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.8 |
| 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 | 443.0 |
Chemical Identifiers
| CAS Number | 6509-66-6 |
|---|---|
| SMILES | CC(C)(C=C)C1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | JYJKVJGVILZRBG-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione (CAS 6509-66-6), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 4-hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione.
Chemical Property Profile of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
Property Insights of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-(2-methylbut-3-en-2-yl)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-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione?
The CAS number of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione is 6509-66-6.
What is the molecular formula of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione?
The molecular formula of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione is C15H14O3.
What is the molecular weight of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione?
The molecular weight of 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione is 242.09 g/mol.
Where can I buy 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione?
You can request a quote for 4-Hydroxy-3-(2-methylbut-3-en-2-yl)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-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.