1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-
TL;DR: 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- (CAS 31689-25-5) is a chemical compound with molecular formula C22H14O4 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-, 2-Anthracenamine,N-2-anthracenyl, 2,2 -Ethylenebis(1,4-naphthoquinone), 2,2'-(1,2-Ethanediyl)bis(1,4-naphthalenedione), J1.687.580E
| Molecular Formula | C22H14O4 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0892 |
| Heavy Atoms | 26 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 31689-25-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)CCC3=CC(=O)C4=CC=CC=C4C3=O |
| InChIKey | JDEWXUIKOKUSAO-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- (CAS 31689-25-5), with molecular formula C22H14O4 and molecular weight 342.09 g/mol. IUPAC: 2-[2-(1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-
Property Insights of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-
The XLogP value of 3.2 indicates that 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- has 0 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 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-?
The CAS number of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- is 31689-25-5.
What is the molecular formula of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-?
The molecular formula of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- is C22H14O4.
What is the molecular weight of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-?
The molecular weight of 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- is 342.09 g/mol.
Where can I buy 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis-?
You can request a quote for 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- 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, 2,2'-(1,2-ethanediyl)bis-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2,2'-(1,2-ethanediyl)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.