2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid
TL;DR: 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid (CAS 496854-84-3) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-2-bromo-3-methylphenyl)-2-oxoacetic acid
Also Known As: 2-(6-amino-2-bromo-3-methylphenyl)-2-oxoacetic acid, 2-(6-amino-2-bromo-3-methyl-phenyl)-2-oxo-acetic Acid
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 1.60702 |
| Topological Polar Surface Area | 80.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 414.76324 |
Chemical Identifiers
| CAS Number | 496854-84-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)N)C(=O)C(=O)O)Br |
Product Overview
2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid (CAS 496854-84-3), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: 2-(6-amino-2-bromo-3-methylphenyl)-2-oxoacetic acid.
Chemical Property Profile of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid
Property Insights of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid
The XLogP value of 1.60702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid. The TPSA of 80.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid has 2 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 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid?
The CAS number of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid is 496854-84-3.
What is the molecular formula of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid?
The molecular formula of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid is C9H8BrNO3.
What is the molecular weight of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid?
The molecular weight of 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid is 256.97 g/mol.
Where can I buy 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid?
You can request a quote for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-2-bromo-3-methylphenyl)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.