1,8-Diethynylanthracene
TL;DR: 1,8-Diethynylanthracene (CAS 78053-58-4) is a chemical compound with molecular formula C18H10 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diethynylanthracene
Also Known As: 1,8-Diethynylanthracene, Anthracene,1,8-diethynyl, Anthracene, 1,8-diethynyl-, 1,8-Diethynylanthracene #, 1,8-Bis(ethynyl)anthracene
| Molecular Formula | C18H10 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.07825 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 78053-58-4 |
|---|---|
| SMILES | C#CC1=CC=CC2=CC3=C(C=C21)C(=CC=C3)C#C |
| InChIKey | DAVBVBBKKWZYOO-UHFFFAOYSA-N |
Product Overview
1,8-Diethynylanthracene (CAS 78053-58-4), with molecular formula C18H10 and molecular weight 226.08 g/mol. IUPAC: 1,8-diethynylanthracene.
Chemical Property Profile of 1,8-Diethynylanthracene
Property Insights of 1,8-Diethynylanthracene
The XLogP value of 4.9 indicates that 1,8-Diethynylanthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,8-Diethynylanthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Diethynylanthracene has 0 hydrogen bond donor(s) and 0 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 1,8-Diethynylanthracene?
The CAS number of 1,8-Diethynylanthracene is 78053-58-4.
What is the molecular formula of 1,8-Diethynylanthracene?
The molecular formula of 1,8-Diethynylanthracene is C18H10.
What is the molecular weight of 1,8-Diethynylanthracene?
The molecular weight of 1,8-Diethynylanthracene is 226.08 g/mol.
Where can I buy 1,8-Diethynylanthracene?
You can request a quote for 1,8-Diethynylanthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diethynylanthracene?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diethynylanthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.