2-Propanone, 1-(2-nitrophenoxy)-
TL;DR: 2-Propanone, 1-(2-nitrophenoxy)- (CAS 5330-66-5) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenoxy)propan-2-one
Also Known As: 1-(2-nitrophenoxy)acetone, 1-(2-nitrophenoxy)propan-2-one, Cassythicine, nitrophenoxyacetone, o-nitrophenoxyacetone
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 5330-66-5 |
|---|---|
| SMILES | CC(=O)COC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | PYVMIAYOZLGBQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanone, 1-(2-nitrophenoxy)- (CAS 5330-66-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1-(2-nitrophenoxy)propan-2-one.
Chemical Property Profile of 2-Propanone, 1-(2-nitrophenoxy)-
Property Insights of 2-Propanone, 1-(2-nitrophenoxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(2-nitrophenoxy)-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(2-nitrophenoxy)-. Following Lipinski's Rule of Five, 2-Propanone, 1-(2-nitrophenoxy)- has 0 hydrogen bond donor(s) and 4 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-Propanone, 1-(2-nitrophenoxy)-?
The CAS number of 2-Propanone, 1-(2-nitrophenoxy)- is 5330-66-5.
What is the molecular formula of 2-Propanone, 1-(2-nitrophenoxy)-?
The molecular formula of 2-Propanone, 1-(2-nitrophenoxy)- is C9H9NO4.
What is the molecular weight of 2-Propanone, 1-(2-nitrophenoxy)-?
The molecular weight of 2-Propanone, 1-(2-nitrophenoxy)- is 195.05 g/mol.
Where can I buy 2-Propanone, 1-(2-nitrophenoxy)-?
You can request a quote for 2-Propanone, 1-(2-nitrophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(2-nitrophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(2-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.