Ethyl 2-((3-bromophenyl)amino)acetate
TL;DR: Ethyl 2-((3-bromophenyl)amino)acetate (CAS 2521-91-7) is a chemical compound with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-bromoanilino)acetate
Also Known As: Ethyl 2-((3-bromophenyl)amino)acetate, ethyl 2-(3-bromoanilino)acetate, Glycine, N-(3-bromophenyl)-, ethyl ester, ethyl 3-bromophenylglycinate, ethyl N-(3-bromophenyl)glycinate
| Molecular Formula | C10H12BrNO2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.00513 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 2521-91-7 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC(=CC=C1)Br |
| InChIKey | JASOGFHEWZGRCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-((3-bromophenyl)amino)acetate (CAS 2521-91-7), with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol. IUPAC: ethyl 2-(3-bromoanilino)acetate.
Chemical Property Profile of Ethyl 2-((3-bromophenyl)amino)acetate
Property Insights of Ethyl 2-((3-bromophenyl)amino)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-bromophenyl)amino)acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-((3-bromophenyl)amino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-((3-bromophenyl)amino)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 2-((3-bromophenyl)amino)acetate?
The CAS number of Ethyl 2-((3-bromophenyl)amino)acetate is 2521-91-7.
What is the molecular formula of Ethyl 2-((3-bromophenyl)amino)acetate?
The molecular formula of Ethyl 2-((3-bromophenyl)amino)acetate is C10H12BrNO2.
What is the molecular weight of Ethyl 2-((3-bromophenyl)amino)acetate?
The molecular weight of Ethyl 2-((3-bromophenyl)amino)acetate is 257.01 g/mol.
Where can I buy Ethyl 2-((3-bromophenyl)amino)acetate?
You can request a quote for Ethyl 2-((3-bromophenyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((3-bromophenyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-bromophenyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.