2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one
TL;DR: 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one (CAS 22019-50-7) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-methyl-3-nitrophenyl)ethanone
Also Known As: 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone, 2-Bromo-1-(4-methyl-3-nitro-phenyl)-ethanone, 2-bromo-3-nitro-4-methylacetophenone, 2-bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one, 3-Nitro-4-methyl-phenacylbromid
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 2.48082 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 389.6435 |
Chemical Identifiers
| CAS Number | 22019-50-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CBr)[N+](=O)[O-] |
Product Overview
2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one (CAS 22019-50-7), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one
Property Insights of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one
The XLogP value of 2.48082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one 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 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one?
The CAS number of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one is 22019-50-7.
What is the molecular formula of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one?
The molecular formula of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one is C9H8BrNO3.
What is the molecular weight of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one?
The molecular weight of 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one is 256.97 g/mol.
Where can I buy 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one?
You can request a quote for 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.