Ethyl (2,3-dimethylanilino)acetate
TL;DR: Ethyl (2,3-dimethylanilino)acetate (CAS 2345-06-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dimethylanilino)acetate
Also Known As: ethyl (2,3-dimethylanilino)acetate, ethyl 2-(2,3-dimethylanilino)acetate, ethyl N-(2,3-dimethylphenyl)glycinate, Glycine, N-(2,3-dimethylphenyl)-, ethyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 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 | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 2345-06-4 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC=CC(=C1C)C |
| InChIKey | OPERCKJVRMDHPG-UHFFFAOYSA-N |
Product Overview
Ethyl (2,3-dimethylanilino)acetate (CAS 2345-06-4), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2-(2,3-dimethylanilino)acetate.
Chemical Property Profile of Ethyl (2,3-dimethylanilino)acetate
Property Insights of Ethyl (2,3-dimethylanilino)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2,3-dimethylanilino)acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl (2,3-dimethylanilino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2,3-dimethylanilino)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-dimethylanilino)acetate?
The CAS number of Ethyl (2,3-dimethylanilino)acetate is 2345-06-4.
What is the molecular formula of Ethyl (2,3-dimethylanilino)acetate?
The molecular formula of Ethyl (2,3-dimethylanilino)acetate is C12H17NO2.
What is the molecular weight of Ethyl (2,3-dimethylanilino)acetate?
The molecular weight of Ethyl (2,3-dimethylanilino)acetate is 207.13 g/mol.
Where can I buy Ethyl (2,3-dimethylanilino)acetate?
You can request a quote for Ethyl (2,3-dimethylanilino)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-dimethylanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2,3-dimethylanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.