![Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate structure](/static/products/994/99450-28-9.png)
Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate
TL;DR: Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate (CAS 99450-28-9) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate
Also Known As: ethyl N-(3,4-dichlorobenzyl)glycinate, ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.03235 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 99450-28-9 |
|---|---|
| SMILES | CCOC(=O)CNCC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | BDBNWXNGXRDMHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate (CAS 99450-28-9), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate.
Chemical Property Profile of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate
Property Insights of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(3,4-dichlorophenyl)methylamino]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-[(3,4-dichlorophenyl)methylamino]acetate?
The CAS number of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate is 99450-28-9.
What is the molecular formula of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate?
The molecular formula of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate is C11H13Cl2NO2.
What is the molecular weight of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate?
The molecular weight of Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate is 261.03 g/mol.
Where can I buy Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate?
You can request a quote for Ethyl 2-[(3,4-dichlorophenyl)methylamino]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-[(3,4-dichlorophenyl)methylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3,4-dichlorophenyl)methylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.