![2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate structure](/static/products/4384/438461-93-9.webp)
2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate
TL;DR: 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate (CAS 438461-93-9) is a chemical compound with molecular formula C19H16BrNO5 and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate, 2-(4-bromophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate, [2-(4-bromophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
| Molecular Formula | C19H16BrNO5 |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 1.9821 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.02118 |
| Heavy Atoms | 26 |
| Complexity | 800.8362 |
Chemical Identifiers
| CAS Number | 438461-93-9 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)Br |
Product Overview
2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate (CAS 438461-93-9), with molecular formula C19H16BrNO5 and molecular weight 417.02 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate.
Chemical Property Profile of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate
Property Insights of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate
The XLogP value of 1.9821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate has 0 hydrogen bond donor(s) and 5 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 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate?
The CAS number of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate is 438461-93-9.
What is the molecular formula of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate?
The molecular formula of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate is C19H16BrNO5.
What is the molecular weight of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate?
The molecular weight of 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate is 417.02 g/mol.
Where can I buy 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate?
You can request a quote for 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.