3'-硝基苯丙酮
TL;DR: 3'-硝基苯丙酮 (CAS 17408-16-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-硝基苯丙酮
1-(3-nitrophenyl)propan-1-one
Also Known As: 3'-Nitropropiophenone, 1-(3-nitrophenyl)propan-1-one, 3-Nitropropiophenone, m-Nitropropiophenone, 1-Propanone, 1-(3-nitrophenyl)-
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 17408-16-1 |
|---|---|
| SMILES | CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | VSPOTMOYDHRALZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-硝基苯丙酮 (CAS 17408-16-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-(3-nitrophenyl)propan-1-one.
Chemical Property Profile of 3'-硝基苯丙酮
Property Insights of 3'-硝基苯丙酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-硝基苯丙酮. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-硝基苯丙酮. Following Lipinski's Rule of Five, 3'-硝基苯丙酮 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 3'-硝基苯丙酮?
The CAS number of 3'-硝基苯丙酮 is 17408-16-1.
What is the molecular formula of 3'-硝基苯丙酮?
The molecular formula of 3'-硝基苯丙酮 is C9H9NO3.
What is the molecular weight of 3'-硝基苯丙酮?
The molecular weight of 3'-硝基苯丙酮 is 179.06 g/mol.
Where can I buy 3'-硝基苯丙酮?
You can request a quote for 3'-硝基苯丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-硝基苯丙酮?
Yes, KEHONG BIO provides custom synthesis services for 3'-硝基苯丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.