Ethyl 2-(3-fluoro-2-methylanilino)acetate
TL;DR: Ethyl 2-(3-fluoro-2-methylanilino)acetate (CAS 2345-01-9) is a chemical compound with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-fluoro-2-methylanilino)acetate
Also Known As: ethyl 2-(3-fluoro-2-methylanilino)acetate, Ethyl N-(3-fluoro-2-methylphenyl)glycinate, Glycine, N-(3-fluoro-o-tolyl)-, ethyl ester, Glycine, N-(3-fluoro-o-tolyl)-, ethyl ester (8CI)
| Molecular Formula | C11H14FNO2 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.10086 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 2345-01-9 |
|---|---|
| SMILES | CCOC(=O)CNC1=C(C(=CC=C1)F)C |
| InChIKey | IQZSDJFBSAXZPP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-fluoro-2-methylanilino)acetate (CAS 2345-01-9), with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol. IUPAC: ethyl 2-(3-fluoro-2-methylanilino)acetate.
Chemical Property Profile of Ethyl 2-(3-fluoro-2-methylanilino)acetate
Property Insights of Ethyl 2-(3-fluoro-2-methylanilino)acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-fluoro-2-methylanilino)acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-(3-fluoro-2-methylanilino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-fluoro-2-methylanilino)acetate has 1 hydrogen bond donor(s) and 4 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-fluoro-2-methylanilino)acetate?
The CAS number of Ethyl 2-(3-fluoro-2-methylanilino)acetate is 2345-01-9.
What is the molecular formula of Ethyl 2-(3-fluoro-2-methylanilino)acetate?
The molecular formula of Ethyl 2-(3-fluoro-2-methylanilino)acetate is C11H14FNO2.
What is the molecular weight of Ethyl 2-(3-fluoro-2-methylanilino)acetate?
The molecular weight of Ethyl 2-(3-fluoro-2-methylanilino)acetate is 211.10 g/mol.
Where can I buy Ethyl 2-(3-fluoro-2-methylanilino)acetate?
You can request a quote for Ethyl 2-(3-fluoro-2-methylanilino)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-fluoro-2-methylanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-fluoro-2-methylanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.