2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
TL;DR: 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one (CAS 175136-56-8) is a chemical compound with molecular formula C14H17BrN2O5 and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Also Known As: 2-bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone, 4-(tert-Butyl)-2,6-dimethyl-3,5-dinitrophenacyl bromide, ethanone, 2-bromo-1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-, 2-bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one, 4-(TERT-BUTYL)-2,6-DIMETHYL-3,5-DINITROPHENACYLBROMIDE
| Molecular Formula | C14H17BrN2O5 |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 3.99494 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.03207 |
| Heavy Atoms | 22 |
| Complexity | 635.7864 |
Chemical Identifiers
| CAS Number | 175136-56-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)CBr |
Product Overview
2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one (CAS 175136-56-8), with molecular formula C14H17BrN2O5 and molecular weight 372.03 g/mol. IUPAC: 2-bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
Property Insights of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
The XLogP value of 3.99494 indicates that 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one has 0 hydrogen bond donor(s) and 5 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-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one?
The CAS number of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one is 175136-56-8.
What is the molecular formula of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one?
The molecular formula of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one is C14H17BrN2O5.
What is the molecular weight of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one?
The molecular weight of 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one is 372.03 g/mol.
Where can I buy 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one?
You can request a quote for 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)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-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.