5'-Ethyl-2'-hydroxy-3'-nitroacetophenone
TL;DR: 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone (CAS 71002-71-6) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-ethyl-2-hydroxy-3-nitrophenyl)ethanone
Also Known As: 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone, 1-(5-ethyl-2-hydroxy-3-nitrophenyl)ethanone, 1-(5-Ethyl-2-hydroxy-3-nitrophenyl)ethan-1-one, 1-(5-ethyl-2-hydroxy-3-nitro-phenyl)ethanone, 1-acetyl-5-ethyl-2-hydroxy-3-nitrobenzene
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.0654 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 390.42572 |
Chemical Identifiers
| CAS Number | 71002-71-6 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C |
Product Overview
5'-Ethyl-2'-hydroxy-3'-nitroacetophenone (CAS 71002-71-6), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 1-(5-ethyl-2-hydroxy-3-nitrophenyl)ethanone.
Chemical Property Profile of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone
Property Insights of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone
The XLogP value of 2.0654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone. Following Lipinski's Rule of Five, 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone has 1 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 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone?
The CAS number of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone is 71002-71-6.
What is the molecular formula of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone?
The molecular formula of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone is C10H11NO4.
What is the molecular weight of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone?
The molecular weight of 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone is 209.07 g/mol.
Where can I buy 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone?
You can request a quote for 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 5'-Ethyl-2'-hydroxy-3'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.