1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone
TL;DR: 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone (CAS 685892-19-7) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone
Also Known As: 5-Chloro-2-methoxy-4-methyl-3-nitroacetophenone, 1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone, 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)-Ethanone, 1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethan-1-one, 5'-Chloro-2'-methoxy-4'-methyl-3'-nitroacetophenone
| Molecular Formula | C10H10ClNO4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | 2.76782 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.02983 |
| Heavy Atoms | 16 |
| Complexity | 470.3771 |
Chemical Identifiers
| CAS Number | 685892-19-7 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(=O)C)Cl |
Product Overview
1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone (CAS 685892-19-7), with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol. IUPAC: 1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone.
Chemical Property Profile of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone
Property Insights of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone
The XLogP value of 2.76782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone 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-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone?
The CAS number of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone is 685892-19-7.
What is the molecular formula of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone?
The molecular formula of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone is C10H10ClNO4.
What is the molecular weight of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone?
The molecular weight of 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone is 243.03 g/mol.
Where can I buy 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone?
You can request a quote for 1-(5-Chloro-2-methoxy-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-methoxy-4-methyl-3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.