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Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate
TL;DR: Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate (CAS 501678-94-0) is a chemical compound with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-bromophenyl)methylamino]acetate
Also Known As: ethyl 2-{[(3-bromophenyl)methyl]amino}acetate, ethyl 2-[(3-bromophenyl)methylamino]acetate, ethyl 2-([(3-bromophenyl)methyl]amino)acetate
| Molecular Formula | C11H14BrNO2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.02078 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 501678-94-0 |
|---|---|
| SMILES | CCOC(=O)CNCC1=CC(=CC=C1)Br |
| InChIKey | SWIYHKKCLLGXKJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate (CAS 501678-94-0), with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol. IUPAC: ethyl 2-[(3-bromophenyl)methylamino]acetate.
Chemical Property Profile of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate
Property Insights of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{[(3-bromophenyl)methyl]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)methyl]amino}acetate?
The CAS number of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate is 501678-94-0.
What is the molecular formula of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate?
The molecular formula of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate is C11H14BrNO2.
What is the molecular weight of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate?
The molecular weight of Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate is 271.02 g/mol.
Where can I buy Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate?
You can request a quote for Ethyl 2-{[(3-bromophenyl)methyl]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)methyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(3-bromophenyl)methyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.