1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone
TL;DR: 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone (CAS 288401-07-0) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone
Also Known As: 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone, 5'-Chloro-2'-hydroxy-4'-methyl-3'-nitro-acetophenone, 5'-chloro-2'-hydroxy-4'-methyl-3'-nitroacetophenone, 1-(5-chloro-2-hydroxy-4-methyl-3-nitro-phenyl)ethanone, 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethan-1-one
| Molecular Formula | C9H8ClNO4 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 2.46482 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.01419 |
| Heavy Atoms | 15 |
| Complexity | 455.91583 |
Chemical Identifiers
| CAS Number | 288401-07-0 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)C)Cl |
Product Overview
1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone (CAS 288401-07-0), with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol. IUPAC: 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone.
Chemical Property Profile of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone
Property Insights of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone
The XLogP value of 2.46482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone 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 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone?
The CAS number of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone is 288401-07-0.
What is the molecular formula of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone?
The molecular formula of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone is C9H8ClNO4.
What is the molecular weight of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone?
The molecular weight of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone is 229.01 g/mol.
Where can I buy 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone?
You can request a quote for 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.