1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one
TL;DR: 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one (CAS 856683-64-2) is a chemical compound with molecular formula C12H13BrO and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-4-methylpent-1-en-3-one
Also Known As: 1-(4-bromophenyl)-4-methylpent-1-en-3-one, NCI60_018087, 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one, 1-Penten-3-one, 1-(4-bromophenyl)-4-methyl-
| Molecular Formula | C12H13BrO |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01498 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 856683-64-2 |
|---|---|
| SMILES | CC(C)C(=O)C=CC1=CC=C(C=C1)Br |
| InChIKey | NXRQXRLIGYBVGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one (CAS 856683-64-2), with molecular formula C12H13BrO and molecular weight 252.01 g/mol. IUPAC: 1-(4-bromophenyl)-4-methylpent-1-en-3-one.
Chemical Property Profile of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one
Property Insights of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one
The XLogP value of 3.8 indicates that 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one 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 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one?
The CAS number of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one is 856683-64-2.
What is the molecular formula of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one?
The molecular formula of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one is C12H13BrO.
What is the molecular weight of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one?
The molecular weight of 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one is 252.01 g/mol.
Where can I buy 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one?
You can request a quote for 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.