1-(4-Nitrophenyl)propane-1,2-dione
TL;DR: 1-(4-Nitrophenyl)propane-1,2-dione (CAS 6159-25-7) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)propane-1,2-dione
Also Known As: 1-(4-nitrophenyl)propane-1,2-dione, 1-(4-nitrophenyl)-1,2-propanedione, 1- -1,2-propanedione, 1-(4-nitrophenyl)-1,2-propandione, 1-Biphenylenecarbonylchloride
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 6159-25-7 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | WCQBWJSIZYUMDJ-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)propane-1,2-dione (CAS 6159-25-7), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 1-(4-nitrophenyl)propane-1,2-dione.
Chemical Property Profile of 1-(4-Nitrophenyl)propane-1,2-dione
Property Insights of 1-(4-Nitrophenyl)propane-1,2-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)propane-1,2-dione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)propane-1,2-dione. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)propane-1,2-dione 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-Nitrophenyl)propane-1,2-dione?
The CAS number of 1-(4-Nitrophenyl)propane-1,2-dione is 6159-25-7.
What is the molecular formula of 1-(4-Nitrophenyl)propane-1,2-dione?
The molecular formula of 1-(4-Nitrophenyl)propane-1,2-dione is C9H7NO4.
What is the molecular weight of 1-(4-Nitrophenyl)propane-1,2-dione?
The molecular weight of 1-(4-Nitrophenyl)propane-1,2-dione is 193.04 g/mol.
Where can I buy 1-(4-Nitrophenyl)propane-1,2-dione?
You can request a quote for 1-(4-Nitrophenyl)propane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)propane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)propane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.