![Benzenamine, 4-[(4-nitrophenyl)ethynyl]- structure](/static/products/7431/7431-22-3.webp)
Benzenamine, 4-[(4-nitrophenyl)ethynyl]-
TL;DR: Benzenamine, 4-[(4-nitrophenyl)ethynyl]- (CAS 7431-22-3) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-nitrophenyl)ethynyl]aniline
Also Known As: 4-amino-4'-nitrotolane, 4-[(4-nitrophenyl)ethynyl]aniline, benzenamine, 4-[(4-nitrophenyl)ethynyl]-, 4-(4-Nitrophenylethynyl)aniline, 4-[2-(4-nitrophenyl)ethynyl]aniline
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 7431-22-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])N |
| InChIKey | UVJKCOKIGXAEGP-UHFFFAOYSA-N |
Product Overview
Benzenamine, 4-[(4-nitrophenyl)ethynyl]- (CAS 7431-22-3), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: 4-[2-(4-nitrophenyl)ethynyl]aniline.
Chemical Property Profile of Benzenamine, 4-[(4-nitrophenyl)ethynyl]-
Property Insights of Benzenamine, 4-[(4-nitrophenyl)ethynyl]-
The XLogP value of 3.1 indicates that Benzenamine, 4-[(4-nitrophenyl)ethynyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-[(4-nitrophenyl)ethynyl]-. Following Lipinski's Rule of Five, Benzenamine, 4-[(4-nitrophenyl)ethynyl]- has 1 hydrogen bond donor(s) and 3 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 Benzenamine, 4-[(4-nitrophenyl)ethynyl]-?
The CAS number of Benzenamine, 4-[(4-nitrophenyl)ethynyl]- is 7431-22-3.
What is the molecular formula of Benzenamine, 4-[(4-nitrophenyl)ethynyl]-?
The molecular formula of Benzenamine, 4-[(4-nitrophenyl)ethynyl]- is C14H10N2O2.
What is the molecular weight of Benzenamine, 4-[(4-nitrophenyl)ethynyl]-?
The molecular weight of Benzenamine, 4-[(4-nitrophenyl)ethynyl]- is 238.07 g/mol.
Where can I buy Benzenamine, 4-[(4-nitrophenyl)ethynyl]-?
You can request a quote for Benzenamine, 4-[(4-nitrophenyl)ethynyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-[(4-nitrophenyl)ethynyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-[(4-nitrophenyl)ethynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.