2-tert-Butyl-1,4-naphthoquinone
TL;DR: 2-tert-Butyl-1,4-naphthoquinone (CAS 51595-06-3) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylnaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2-(1,1-dimethylethyl)-, 2-tert-butylnaphthalene-1,4-dione, 2-tert-butyl-1,4-naphthoquinone, 2-t-butyl-1,4-naphthoquinone, 2-tert-butyl-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 51595-06-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | MSRXJQADDALUCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-1,4-naphthoquinone (CAS 51595-06-3), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: 2-tert-butylnaphthalene-1,4-dione.
Chemical Property Profile of 2-tert-Butyl-1,4-naphthoquinone
Property Insights of 2-tert-Butyl-1,4-naphthoquinone
The XLogP value of 3.5 indicates that 2-tert-Butyl-1,4-naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-tert-Butyl-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-1,4-naphthoquinone has 0 hydrogen bond donor(s) and 2 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-tert-Butyl-1,4-naphthoquinone?
The CAS number of 2-tert-Butyl-1,4-naphthoquinone is 51595-06-3.
What is the molecular formula of 2-tert-Butyl-1,4-naphthoquinone?
The molecular formula of 2-tert-Butyl-1,4-naphthoquinone is C14H14O2.
What is the molecular weight of 2-tert-Butyl-1,4-naphthoquinone?
The molecular weight of 2-tert-Butyl-1,4-naphthoquinone is 214.10 g/mol.
Where can I buy 2-tert-Butyl-1,4-naphthoquinone?
You can request a quote for 2-tert-Butyl-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.