2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate
TL;DR: 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate (CAS 1017793-44-0) is a chemical compound with molecular formula C9H7BrNO3- and molecular weight 255.96094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-amino-2-bromo-3-methylphenyl)-2-oxoacetate
Also Known As: ZERO/001457, 2-(6-amino-2-bromo-3-methylphenyl)-2-oxoacetate, (6-amino-2-bromo-3-methylphenyl)(oxo)acetate, 2-(2-amino-6-bromo-5-methylphenyl)-2-oxoacetic acid
Technical Specifications
| Molecular Formula | C9H7BrNO3- |
| Molecular Weight | 255.96094 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.96094 Da |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
| SMILES | CC1=C(C(=C(C=C1)N)C(=O)C(=O)[O-])Br |
| InChIKey | HNXXUZCXYONFQH-UHFFFAOYSA-M |
Chemical Property Profile of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate
Property Insights of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate. Following Lipinski's Rule of Five, 2-(6-Amino-2-bromo-3-methylphenyl)-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
What is the CAS number of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate?
The CAS number of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate is 1017793-44-0.
What is the molecular formula of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate?
The molecular formula of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate is C9H7BrNO3-.
What is the molecular weight of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate?
The molecular weight of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate is 255.96094 g/mol.
Where can I buy 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate?
You can request a quote for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate?
Yes, CoreyChem provides custom synthesis services for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.