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Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate
TL;DR: Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate (CAS 333441-79-5) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromo-2-methylanilino)-2-oxoacetate
Also Known As: ethyl (4-bromo-2-methylanilino)(oxo)acetate, ethyl 2-(4-bromo-2-methylanilino)-2-oxoacetate, BAS 01935783, ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate, ethyl [N-(4-bromo-2-methylphenyl)carbamoyl]formate
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 2.25912 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 417.69073 |
Chemical Identifiers
| CAS Number | 333441-79-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(C=C(C=C1)Br)C |
Product Overview
Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate (CAS 333441-79-5), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: ethyl 2-(4-bromo-2-methylanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate
Property Insights of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate
The XLogP value of 2.25912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate has 1 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 Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate?
The CAS number of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate is 333441-79-5.
What is the molecular formula of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate?
The molecular formula of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate is C11H12BrNO3.
What is the molecular weight of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate?
The molecular weight of Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate is 285.00 g/mol.
Where can I buy Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate?
You can request a quote for Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4-bromo-2-methylphenyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.