1-Nitro-4-phenylethynyl-benzene
TL;DR: 1-Nitro-4-phenylethynyl-benzene (CAS 1942-30-9) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(2-phenylethynyl)benzene
Also Known As: 1-Nitro-4-phenylethynyl-benzene, 1-nitro-4-(2-phenylethynyl)benzene, 1-nitro-4-(phenylethynyl)benzene, Benzene,1-nitro-4-(2-phenylethynyl)-, 1-(2-(4-nitrophenyl)ethynyl)benzene
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.9946 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 577.11444 |
Chemical Identifiers
| CAS Number | 1942-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Nitro-4-phenylethynyl-benzene (CAS 1942-30-9), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 1-nitro-4-(2-phenylethynyl)benzene.
Chemical Property Profile of 1-Nitro-4-phenylethynyl-benzene
Property Insights of 1-Nitro-4-phenylethynyl-benzene
The XLogP value of 2.9946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-phenylethynyl-benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Nitro-4-phenylethynyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-phenylethynyl-benzene 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-Nitro-4-phenylethynyl-benzene?
The CAS number of 1-Nitro-4-phenylethynyl-benzene is 1942-30-9.
What is the molecular formula of 1-Nitro-4-phenylethynyl-benzene?
The molecular formula of 1-Nitro-4-phenylethynyl-benzene is C14H9NO2.
What is the molecular weight of 1-Nitro-4-phenylethynyl-benzene?
The molecular weight of 1-Nitro-4-phenylethynyl-benzene is 223.06 g/mol.
Where can I buy 1-Nitro-4-phenylethynyl-benzene?
You can request a quote for 1-Nitro-4-phenylethynyl-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-phenylethynyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-phenylethynyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.