2-(4-Nitrobenzylidene)-1-tetralone
TL;DR: 2-(4-Nitrobenzylidene)-1-tetralone (CAS 49545-72-4) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Also Known As: 2-(4-nitrobenzylidene)-1-tetralone, (2E)-2-[(4-nitrophenyl)methylidene]tetralin-1-one, 2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 49545-72-4 |
|---|---|
| SMILES | C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C31 |
| InChIKey | WEBULUVFDZSBFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrobenzylidene)-1-tetralone (CAS 49545-72-4), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 2-(4-Nitrobenzylidene)-1-tetralone
Property Insights of 2-(4-Nitrobenzylidene)-1-tetralone
The XLogP value of 3.9 indicates that 2-(4-Nitrobenzylidene)-1-tetralone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrobenzylidene)-1-tetralone. Following Lipinski's Rule of Five, 2-(4-Nitrobenzylidene)-1-tetralone has 0 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 2-(4-Nitrobenzylidene)-1-tetralone?
The CAS number of 2-(4-Nitrobenzylidene)-1-tetralone is 49545-72-4.
What is the molecular formula of 2-(4-Nitrobenzylidene)-1-tetralone?
The molecular formula of 2-(4-Nitrobenzylidene)-1-tetralone is C17H13NO3.
What is the molecular weight of 2-(4-Nitrobenzylidene)-1-tetralone?
The molecular weight of 2-(4-Nitrobenzylidene)-1-tetralone is 279.09 g/mol.
Where can I buy 2-(4-Nitrobenzylidene)-1-tetralone?
You can request a quote for 2-(4-Nitrobenzylidene)-1-tetralone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrobenzylidene)-1-tetralone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrobenzylidene)-1-tetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.