9-(4-Nitrophenylethynyl)anthracene
TL;DR: 9-(4-Nitrophenylethynyl)anthracene (CAS 170461-47-9) is a chemical compound with molecular formula C22H13NO2 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(4-nitrophenyl)ethynyl]anthracene
Also Known As: 9-(4-Nitrophenylethynyl)anthracene, 9-[2-(4-nitrophenyl)ethynyl]anthracene, 9-[(4-Nitrophenyl)ethynyl]anthracene, 9-((4-NITROPHENYL)ETHYNYL)ANTHRACENE, RefChem:312827
| Molecular Formula | C22H13NO2 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.09464 |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 170461-47-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | STLIQNHVPOSJRJ-UHFFFAOYSA-N |
Product Overview
9-(4-Nitrophenylethynyl)anthracene (CAS 170461-47-9), with molecular formula C22H13NO2 and molecular weight 323.09 g/mol. IUPAC: 9-[2-(4-nitrophenyl)ethynyl]anthracene.
Chemical Property Profile of 9-(4-Nitrophenylethynyl)anthracene
Property Insights of 9-(4-Nitrophenylethynyl)anthracene
The XLogP value of 6.3 indicates that 9-(4-Nitrophenylethynyl)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 9-(4-Nitrophenylethynyl)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-Nitrophenylethynyl)anthracene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(4-Nitrophenylethynyl)anthracene?
The CAS number of 9-(4-Nitrophenylethynyl)anthracene is 170461-47-9.
What is the molecular formula of 9-(4-Nitrophenylethynyl)anthracene?
The molecular formula of 9-(4-Nitrophenylethynyl)anthracene is C22H13NO2.
What is the molecular weight of 9-(4-Nitrophenylethynyl)anthracene?
The molecular weight of 9-(4-Nitrophenylethynyl)anthracene is 323.09 g/mol.
Where can I buy 9-(4-Nitrophenylethynyl)anthracene?
You can request a quote for 9-(4-Nitrophenylethynyl)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-Nitrophenylethynyl)anthracene?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Nitrophenylethynyl)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.