7-Nitro-1-tetralone
TL;DR: 7-Nitro-1-tetralone (CAS 40353-34-2) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 7-Nitro-1-tetralone, 7-Nitrotetralone, 7-nitro-3,4-dihydronaphthalen-1(2H)-one, 7-nitrotetralin-1-one, 7-Nitro-tetralone
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 40353-34-2 |
|---|---|
| SMILES | C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1 |
| InChIKey | GWAQYWSNCVEJMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitro-1-tetralone (CAS 40353-34-2), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 7-nitro-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 7-Nitro-1-tetralone
Property Insights of 7-Nitro-1-tetralone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-1-tetralone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-1-tetralone. Following Lipinski's Rule of Five, 7-Nitro-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 7-Nitro-1-tetralone?
The CAS number of 7-Nitro-1-tetralone is 40353-34-2.
What is the molecular formula of 7-Nitro-1-tetralone?
The molecular formula of 7-Nitro-1-tetralone is C10H9NO3.
What is the molecular weight of 7-Nitro-1-tetralone?
The molecular weight of 7-Nitro-1-tetralone is 191.06 g/mol.
Where can I buy 7-Nitro-1-tetralone?
You can request a quote for 7-Nitro-1-tetralone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-1-tetralone?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-1-tetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.