Methyl 2-amino-2-(4-bromophenyl)acetate
TL;DR: Methyl 2-amino-2-(4-bromophenyl)acetate (CAS 1213914-40-9) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.98949 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-2-(4-bromophenyl)acetate
Also Known As: Methyl 2-amino-2-(4-bromophenyl)acetate, dimethylpopop, 4-Bromophenylethylamine HCl, DL-4-BROMOPHENYLGLYCINE, Methyl amino(4-bromophenyl)acetate
Technical Specifications
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 242.98949 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.98949 Da |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
| SMILES | COC(=O)C(C1=CC=C(C=C1)Br)N |
| InChIKey | YERRTOUSFSZICJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-amino-2-(4-bromophenyl)acetate
Property Insights of Methyl 2-amino-2-(4-bromophenyl)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-2-(4-bromophenyl)acetate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 2-amino-2-(4-bromophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-amino-2-(4-bromophenyl)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
What is the CAS number of Methyl 2-amino-2-(4-bromophenyl)acetate?
The CAS number of Methyl 2-amino-2-(4-bromophenyl)acetate is 1213914-40-9.
What is the molecular formula of Methyl 2-amino-2-(4-bromophenyl)acetate?
The molecular formula of Methyl 2-amino-2-(4-bromophenyl)acetate is C9H10BrNO2.
What is the molecular weight of Methyl 2-amino-2-(4-bromophenyl)acetate?
The molecular weight of Methyl 2-amino-2-(4-bromophenyl)acetate is 242.98949 g/mol.
Where can I buy Methyl 2-amino-2-(4-bromophenyl)acetate?
You can request a quote for Methyl 2-amino-2-(4-bromophenyl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-amino-2-(4-bromophenyl)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-amino-2-(4-bromophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.