1-(2-Phenylethynyl)anthracene-9,10-dione
TL;DR: 1-(2-Phenylethynyl)anthracene-9,10-dione (CAS 78053-66-4) is a chemical compound with molecular formula C22H12O2 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethynyl)anthracene-9,10-dione
Also Known As: 1-Phenylethynylanthraquinone, 1-(Phenylethynyl)anthraquinone, 1-(2-phenylethynyl)anthracene-9,10-dione, 1-(phenylethynyl)-9,10-anthraquinone, 1-(phenylethynyl)anthra-9,10-quinone
| Molecular Formula | C22H12O2 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 3.8618 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.08374 |
| Heavy Atoms | 24 |
| Complexity | 1034.3102 |
Chemical Identifiers
| CAS Number | 78053-66-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=O |
Product Overview
1-(2-Phenylethynyl)anthracene-9,10-dione (CAS 78053-66-4), with molecular formula C22H12O2 and molecular weight 308.08 g/mol. IUPAC: 1-(2-phenylethynyl)anthracene-9,10-dione.
Chemical Property Profile of 1-(2-Phenylethynyl)anthracene-9,10-dione
Property Insights of 1-(2-Phenylethynyl)anthracene-9,10-dione
The XLogP value of 3.8618 indicates that 1-(2-Phenylethynyl)anthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1-(2-Phenylethynyl)anthracene-9,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Phenylethynyl)anthracene-9,10-dione 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-(2-Phenylethynyl)anthracene-9,10-dione?
The CAS number of 1-(2-Phenylethynyl)anthracene-9,10-dione is 78053-66-4.
What is the molecular formula of 1-(2-Phenylethynyl)anthracene-9,10-dione?
The molecular formula of 1-(2-Phenylethynyl)anthracene-9,10-dione is C22H12O2.
What is the molecular weight of 1-(2-Phenylethynyl)anthracene-9,10-dione?
The molecular weight of 1-(2-Phenylethynyl)anthracene-9,10-dione is 308.08 g/mol.
Where can I buy 1-(2-Phenylethynyl)anthracene-9,10-dione?
You can request a quote for 1-(2-Phenylethynyl)anthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Phenylethynyl)anthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Phenylethynyl)anthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.