Ethanone, 2-bromo-1-(4-butylphenyl)-
TL;DR: Ethanone, 2-bromo-1-(4-butylphenyl)- (CAS 73113-90-3) is a chemical compound with molecular formula C12H15BrO and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-butylphenyl)ethanone
Also Known As: 2-bromo-1-(4-butylphenyl)ethanone, 4-(But-1-yl)phenacyl bromide, 2-bromo-4'-butylacetophenone, 2-bromo-4-n-butylacetophenone, 4-butylphenacyl bromide
| Molecular Formula | C12H15BrO |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.03062 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 73113-90-3 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)CBr |
| InChIKey | GJSCTQGKYDCGKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2-bromo-1-(4-butylphenyl)- (CAS 73113-90-3), with molecular formula C12H15BrO and molecular weight 254.03 g/mol. IUPAC: 2-bromo-1-(4-butylphenyl)ethanone.
Chemical Property Profile of Ethanone, 2-bromo-1-(4-butylphenyl)-
Property Insights of Ethanone, 2-bromo-1-(4-butylphenyl)-
The XLogP value of 4.3 indicates that Ethanone, 2-bromo-1-(4-butylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 2-bromo-1-(4-butylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-bromo-1-(4-butylphenyl)- has 0 hydrogen bond donor(s) and 1 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 Ethanone, 2-bromo-1-(4-butylphenyl)-?
The CAS number of Ethanone, 2-bromo-1-(4-butylphenyl)- is 73113-90-3.
What is the molecular formula of Ethanone, 2-bromo-1-(4-butylphenyl)-?
The molecular formula of Ethanone, 2-bromo-1-(4-butylphenyl)- is C12H15BrO.
What is the molecular weight of Ethanone, 2-bromo-1-(4-butylphenyl)-?
The molecular weight of Ethanone, 2-bromo-1-(4-butylphenyl)- is 254.03 g/mol.
Where can I buy Ethanone, 2-bromo-1-(4-butylphenyl)-?
You can request a quote for Ethanone, 2-bromo-1-(4-butylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-bromo-1-(4-butylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-bromo-1-(4-butylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.