4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione
TL;DR: 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione (CAS 55030-44-9) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione
Also Known As: 2-Hydroxy-3- -1,4-naphthalenedione, 4-hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione, 2-Hydroxy-3-(1-hydroxy-3-methylbutyl)-1,4-naphthalenedione, 2-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthoquinone, 1,4-Naphthalenedione, 2-hydroxy-3-(1-hydroxy-3-methylbutyl)-
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 55030-44-9 |
|---|---|
| SMILES | CC(C)CC(C1=C(C2=CC=CC=C2C(=O)C1=O)O)O |
| InChIKey | YMVKUVNYWVHTIK-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione (CAS 55030-44-9), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 4-hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione.
Chemical Property Profile of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione
Property Insights of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione. Following Lipinski's Rule of Five, 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione has 2 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 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione?
The CAS number of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione is 55030-44-9.
What is the molecular formula of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione?
The molecular formula of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione is C15H16O4.
What is the molecular weight of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione?
The molecular weight of 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione is 260.10 g/mol.
Where can I buy 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione?
You can request a quote for 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)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-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.