1-(4-Bromophenyl)-4-methylpent-1-en-3-one
TL;DR: 1-(4-Bromophenyl)-4-methylpent-1-en-3-one (CAS 67962-10-1) 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.
(E)-1-(4-bromophenyl)-4-methylpent-1-en-3-one
Also Known As: 1-(4-bromophenyl)-4-methylpent-1-en-3-one, 1-(4'-bromophenyl)-4-methyl-1-penten-3-one, (E)-1-(4-bromophenyl)-4-methylpent-1-en-3-one, (E)-1-(4-bromophenyl)-4-methyl-pent-1-en-3-one
| Molecular Formula | C12H13BrO |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 3.6874 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01498 |
| Heavy Atoms | 14 |
| Complexity | 335.8443 |
Chemical Identifiers
| CAS Number | 67962-10-1 |
|---|---|
| SMILES | CC(C)C(=O)/C=C/C1=CC=C(C=C1)Br |
Product Overview
1-(4-Bromophenyl)-4-methylpent-1-en-3-one (CAS 67962-10-1), with molecular formula C12H13BrO and molecular weight 252.01 g/mol. IUPAC: (E)-1-(4-bromophenyl)-4-methylpent-1-en-3-one.
Chemical Property Profile of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one
Property Insights of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one
The XLogP value of 3.6874 indicates that 1-(4-Bromophenyl)-4-methylpent-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 17.07 Ų, 1-(4-Bromophenyl)-4-methylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-4-methylpent-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-Bromophenyl)-4-methylpent-1-en-3-one?
The CAS number of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one is 67962-10-1.
What is the molecular formula of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one?
The molecular formula of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one is C12H13BrO.
What is the molecular weight of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one?
The molecular weight of 1-(4-Bromophenyl)-4-methylpent-1-en-3-one is 252.01 g/mol.
Where can I buy 1-(4-Bromophenyl)-4-methylpent-1-en-3-one?
You can request a quote for 1-(4-Bromophenyl)-4-methylpent-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-Bromophenyl)-4-methylpent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-4-methylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.