1-(4-Nitrophenoxy)propan-2-one
TL;DR: 1-(4-Nitrophenoxy)propan-2-one (CAS 6698-72-2) 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-(4-nitrophenoxy)propan-2-one
Also Known As: 1-(4-nitrophenoxy)propan-2-one, p-nitrophenoxyacetone, 4-nitrophenoxyacetone, p-nitrophenoxy acetone, Lemborexant Impurity 46
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.9 |
| 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 | 215.0 |
Chemical Identifiers
| CAS Number | 6698-72-2 |
|---|---|
| SMILES | CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BTPOVNGEGQQHIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitrophenoxy)propan-2-one (CAS 6698-72-2), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1-(4-nitrophenoxy)propan-2-one.
Chemical Property Profile of 1-(4-Nitrophenoxy)propan-2-one
Property Insights of 1-(4-Nitrophenoxy)propan-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenoxy)propan-2-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenoxy)propan-2-one. Following Lipinski's Rule of Five, 1-(4-Nitrophenoxy)propan-2-one 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 1-(4-Nitrophenoxy)propan-2-one?
The CAS number of 1-(4-Nitrophenoxy)propan-2-one is 6698-72-2.
What is the molecular formula of 1-(4-Nitrophenoxy)propan-2-one?
The molecular formula of 1-(4-Nitrophenoxy)propan-2-one is C9H9NO4.
What is the molecular weight of 1-(4-Nitrophenoxy)propan-2-one?
The molecular weight of 1-(4-Nitrophenoxy)propan-2-one is 195.05 g/mol.
Where can I buy 1-(4-Nitrophenoxy)propan-2-one?
You can request a quote for 1-(4-Nitrophenoxy)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenoxy)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenoxy)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.