Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate
TL;DR: Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate (CAS 338964-93-5) is a chemical compound with molecular formula C17H15BrO3 and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate
Also Known As: methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate, Bionet2_000808, 6J-586S, J2.182.205A, methyl4-(4-bromophenyl)-4-oxo-2-phenylbutanoate
| Molecular Formula | C17H15BrO3 |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 3.9787 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.02045 |
| Heavy Atoms | 21 |
| Complexity | 620.2433 |
Chemical Identifiers
| CAS Number | 338964-93-5 |
|---|---|
| SMILES | COC(=O)C(CC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 |
Product Overview
Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate (CAS 338964-93-5), with molecular formula C17H15BrO3 and molecular weight 346.02 g/mol. IUPAC: methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate.
Chemical Property Profile of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate
Property Insights of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate
The XLogP value of 3.9787 indicates that Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate 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 Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate?
The CAS number of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate is 338964-93-5.
What is the molecular formula of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate?
The molecular formula of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate is C17H15BrO3.
What is the molecular weight of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate?
The molecular weight of Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate is 346.02 g/mol.
Where can I buy Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate?
You can request a quote for Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-bromophenyl)-4-oxo-2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.