2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione
TL;DR: 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione (CAS 104907-62-2) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-hydroxynaphthalene-1,2-dione
Also Known As: 35W-82, 2-(4-tert-Butylphenyl)-3-hydroxy-1,4-naphthalenedione, 3-(4-tert-butylphenyl)-4-hydroxynaphthalene-1,2-dione, 2-(4-(tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione, 2-(4-tert-butylphenyl)-3-hydroxy-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 4.1758 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 833.93567 |
Chemical Identifiers
| CAS Number | 104907-62-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O |
Product Overview
2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione (CAS 104907-62-2), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione
Property Insights of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione
The XLogP value of 4.1758 indicates that 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-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 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione?
The CAS number of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione is 104907-62-2.
What is the molecular formula of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione?
The molecular formula of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione is C20H18O3.
What is the molecular weight of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione?
The molecular weight of 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione is 306.13 g/mol.
Where can I buy 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione?
You can request a quote for 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-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-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Tert-butyl)phenyl)-3-hydroxynaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.