1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate
TL;DR: 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate (CAS 335391-34-9) is a chemical compound with molecular formula C20H20BrNO4 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylpropan-2-yl) 5-(4-bromoanilino)-5-oxopentanoate
Also Known As: BAS 02800769, (1-oxo-1-phenylpropan-2-yl) 5-(4-bromoanilino)-5-oxopentanoate, 1-methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate, 1-oxo-1-phenylpropan-2-yl 5-((4-bromophenyl)amino)-5-oxopentanoate, 1-oxo-1-phenylpropan-2-yl 5-[(4-bromophenyl)amino]-5-oxopentanoate
| Molecular Formula | C20H20BrNO4 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 4.3725 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.05756 |
| Heavy Atoms | 26 |
| Complexity | 759.14044 |
Chemical Identifiers
| CAS Number | 335391-34-9 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)Br |
Product Overview
1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate (CAS 335391-34-9), with molecular formula C20H20BrNO4 and molecular weight 417.06 g/mol. IUPAC: (1-oxo-1-phenylpropan-2-yl) 5-(4-bromoanilino)-5-oxopentanoate.
Chemical Property Profile of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate
Property Insights of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate
The XLogP value of 4.3725 indicates that 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate. Following Lipinski's Rule of Five, 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate has 1 hydrogen bond donor(s) and 4 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-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate?
The CAS number of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate is 335391-34-9.
What is the molecular formula of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate?
The molecular formula of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate is C20H20BrNO4.
What is the molecular weight of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate?
The molecular weight of 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate is 417.06 g/mol.
Where can I buy 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate?
You can request a quote for 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxo-2-phenylethyl 5-(4-bromoanilino)-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.