2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione
TL;DR: 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione (CAS 23434-49-3) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)naphthalene-1,4-dione
Also Known As: 1,2-tert-butylamino, 1, 2-tert-butylamino-, 2- -1,4-naphthoquinone, 2-tert-Butylamino-1,4-naphthoquinone, 2-t-Butylamino-1,4-naphthoquinone
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 23434-49-3 |
|---|---|
| SMILES | CC(C)(C)NC1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | UHMMBLVNMHQUSM-UHFFFAOYSA-N |
Product Overview
2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione (CAS 23434-49-3), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 2-(tert-butylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione
Property Insights of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione. With a topological polar surface area (TPSA) of 46.2 Ų, 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione 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-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione?
The CAS number of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione is 23434-49-3.
What is the molecular formula of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione?
The molecular formula of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione is C14H15NO2.
What is the molecular weight of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione?
The molecular weight of 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione is 229.11 g/mol.
Where can I buy 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione?
You can request a quote for 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-((1,1-Dimethylethyl)amino)-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.