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Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate
TL;DR: Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate (CAS 75397-64-7) is a chemical compound with molecular formula C12H12BrNO4 and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate
Also Known As: ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate, ethyl{[3-(bromoacetyl)phenyl]amino}(oxo)acetate, Ethyl [3-(bromoacetyl)anilino](oxo)acetate, Acetic acid,2-[[3-(2-bromoacetyl)phenyl]amino]-2-oxo-, ethyl ester
| Molecular Formula | C12H12BrNO4 |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.99496 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 75397-64-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC=CC(=C1)C(=O)CBr |
| InChIKey | KLJWCKYHINZDLY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate (CAS 75397-64-7), with molecular formula C12H12BrNO4 and molecular weight 312.99 g/mol. IUPAC: ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate
Property Insights of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate 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 Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate?
The CAS number of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate is 75397-64-7.
What is the molecular formula of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate?
The molecular formula of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate is C12H12BrNO4.
What is the molecular weight of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate?
The molecular weight of Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate is 312.99 g/mol.
Where can I buy Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate?
You can request a quote for Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-(2-bromoacetyl)anilino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.