ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
TL;DR: ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate (CAS 754235-62-6) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-bromo-2,3-dioxoindol-1-yl)acetate
Also Known As: ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate, Ethyl 2-(5-Bromo-2,3-dioxoindolin-1-yl)acetate, ethyl 2-(5-bromo-2,3-dioxoindol-1-yl)acetate, 1-Benzyl-azetidine-3-carboxylic acid, (5-bromo-2,3-dioxo-2,3-dihydro-indol-1-yl)-acetic acid ethyl ester
| Molecular Formula | C12H10BrNO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 1.5415 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.9793 |
| Heavy Atoms | 18 |
| Complexity | 540.87897 |
Chemical Identifiers
| CAS Number | 754235-62-6 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)Br)C(=O)C1=O |
Product Overview
ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate (CAS 754235-62-6), with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol. IUPAC: ethyl 2-(5-bromo-2,3-dioxoindol-1-yl)acetate.
Chemical Property Profile of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
Property Insights of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
The XLogP value of 1.5415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate has 0 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 ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
The CAS number of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate is 754235-62-6.
What is the molecular formula of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
The molecular formula of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate is C12H10BrNO4.
What is the molecular weight of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
The molecular weight of ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate is 310.98 g/mol.
Where can I buy ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
You can request a quote for ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.