1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-
TL;DR: 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- (CAS 114355-40-7) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-ditert-butylnaphthalene-1,4-dione
Also Known As: 2,3-di-tert-butylnaphthalene-1,4-dione, 2,3-ditert-butylnaphthalene-1,4-dione, 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-, 1,4-Naphthalenedione,2,3-bis(1,1-dimethylethyl)-
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 114355-40-7 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=O)C2=CC=CC=C2C1=O)C(C)(C)C |
| InChIKey | WCFWUDWAINZKJZ-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- (CAS 114355-40-7), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 2,3-ditert-butylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-
Property Insights of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-
The XLogP value of 4.8 indicates that 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- 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 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-?
The CAS number of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- is 114355-40-7.
What is the molecular formula of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-?
The molecular formula of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- is C18H22O2.
What is the molecular weight of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-?
The molecular weight of 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- is 270.16 g/mol.
Where can I buy 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-?
You can request a quote for 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2,3-bis(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.