Methyl 4-amino-5-bromo-2-methoxybenzoate
TL;DR: Methyl 4-amino-5-bromo-2-methoxybenzoate (CAS 11105-03-6) is a chemical compound with molecular formula C9H10BrNO3 and molecular weight 258.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-amino-5-bromo-2-methoxybenzoate
Also Known As: methyl 4-amino-5-bromo-2-methoxybenzoate, methyl 4-amino-5-bromo-2-methoxybenzenecarboxylate, Sodium zirconium oxide sulfate, 3,4,4',7-Tetrahydroxyflavan, 2024AA
Technical Specifications
| Molecular Formula | C9H10BrNO3 |
| Molecular Weight | 258.9844 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9844 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | COC1=CC(=C(C=C1C(=O)OC)Br)N |
| InChIKey | CUMRIXJSGJTGSE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-amino-5-bromo-2-methoxybenzoate
Property Insights of Methyl 4-amino-5-bromo-2-methoxybenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-5-bromo-2-methoxybenzoate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-5-bromo-2-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 4-amino-5-bromo-2-methoxybenzoate 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 Methyl 4-amino-5-bromo-2-methoxybenzoate?
The CAS number of Methyl 4-amino-5-bromo-2-methoxybenzoate is 11105-03-6.
What is the molecular formula of Methyl 4-amino-5-bromo-2-methoxybenzoate?
The molecular formula of Methyl 4-amino-5-bromo-2-methoxybenzoate is C9H10BrNO3.
What is the molecular weight of Methyl 4-amino-5-bromo-2-methoxybenzoate?
The molecular weight of Methyl 4-amino-5-bromo-2-methoxybenzoate is 258.9844 g/mol.
Where can I buy Methyl 4-amino-5-bromo-2-methoxybenzoate?
You can request a quote for Methyl 4-amino-5-bromo-2-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-amino-5-bromo-2-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-amino-5-bromo-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.